USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Set 1.1: A 51 ASN : amide:sc= 0.792 K(o=1.6,f=-5.9!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -150:sc= 0.844 (180deg=0) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0948 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0541 K(o=-0.054,f=-0.6) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 0.506 (180deg=0.0366) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.064 USER MOD Single : A 36 MET CE :methyl -130:sc= 0 (180deg=-0.00762) USER MOD Single : A 41 GLN : amide:sc= 0.156 X(o=0.16,f=-0.043) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 50 THR OG1 : rot -79:sc= 0.498 USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.05) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.530 -6.081 14.556 1.00 25.58 N ATOM 2 CA MET A 1 -11.946 -4.664 14.626 1.00 26.51 C ATOM 3 C MET A 1 -11.336 -4.014 15.861 1.00 26.54 C ATOM 4 O MET A 1 -10.326 -3.334 15.732 1.00 26.41 O ATOM 5 CB MET A 1 -13.475 -4.495 14.579 1.00 27.83 C ATOM 6 CG MET A 1 -13.930 -3.026 14.597 1.00 29.37 C ATOM 7 SD MET A 1 -14.243 -2.262 12.980 1.00 29.62 S ATOM 8 CE MET A 1 -12.567 -1.968 12.361 1.00 29.21 C ATOM 0 H1 MET A 1 -11.947 -6.524 13.712 1.00 25.58 H new ATOM 0 H2 MET A 1 -10.493 -6.136 14.499 1.00 25.58 H new ATOM 0 H3 MET A 1 -11.857 -6.581 15.407 1.00 25.58 H new ATOM 0 HA MET A 1 -11.569 -4.154 13.740 1.00 26.51 H new ATOM 0 HB2 MET A 1 -13.858 -4.975 13.678 1.00 27.83 H new ATOM 0 HB3 MET A 1 -13.916 -5.014 15.430 1.00 27.83 H new ATOM 0 HG2 MET A 1 -14.842 -2.957 15.190 1.00 29.37 H new ATOM 0 HG3 MET A 1 -13.170 -2.438 15.112 1.00 29.37 H new ATOM 0 HE1 MET A 1 -12.583 -1.148 11.643 1.00 29.21 H new ATOM 0 HE2 MET A 1 -11.912 -1.709 13.193 1.00 29.21 H new ATOM 0 HE3 MET A 1 -12.196 -2.870 11.874 1.00 29.21 H new ATOM 20 N LYS A 2 -11.930 -4.202 17.042 1.00 26.87 N ATOM 21 CA LYS A 2 -11.450 -3.621 18.285 1.00 27.08 C ATOM 22 C LYS A 2 -11.968 -4.516 19.407 1.00 27.03 C ATOM 23 O LYS A 2 -13.133 -4.902 19.355 1.00 27.57 O ATOM 24 CB LYS A 2 -11.953 -2.172 18.404 1.00 28.40 C ATOM 25 CG LYS A 2 -13.487 -2.048 18.406 1.00 29.27 C ATOM 26 CD LYS A 2 -13.935 -0.613 18.116 1.00 30.81 C ATOM 27 CE LYS A 2 -13.544 0.324 19.263 1.00 31.67 C ATOM 28 NZ LYS A 2 -13.879 1.730 18.954 1.00 33.05 N ATOM 0 H LYS A 2 -12.769 -4.771 17.157 1.00 26.87 H new ATOM 0 HA LYS A 2 -10.362 -3.573 18.331 1.00 27.08 H new ATOM 0 HB2 LYS A 2 -11.561 -1.735 19.322 1.00 28.40 H new ATOM 0 HB3 LYS A 2 -11.551 -1.588 17.576 1.00 28.40 H new ATOM 0 HG2 LYS A 2 -13.908 -2.720 17.658 1.00 29.27 H new ATOM 0 HG3 LYS A 2 -13.877 -2.363 19.374 1.00 29.27 H new ATOM 0 HD2 LYS A 2 -13.481 -0.267 17.187 1.00 30.81 H new ATOM 0 HD3 LYS A 2 -15.015 -0.587 17.972 1.00 30.81 H new ATOM 0 HE2 LYS A 2 -14.058 0.019 20.175 1.00 31.67 H new ATOM 0 HE3 LYS A 2 -12.475 0.238 19.456 1.00 31.67 H new ATOM 0 HZ1 LYS A 2 -13.601 2.337 19.752 1.00 33.05 H new ATOM 0 HZ2 LYS A 2 -13.369 2.028 18.098 1.00 33.05 H new ATOM 0 HZ3 LYS A 2 -14.903 1.816 18.795 1.00 33.05 H new ATOM 42 N GLN A 3 -11.107 -4.877 20.363 1.00 26.50 N ATOM 43 CA GLN A 3 -11.339 -5.982 21.287 1.00 26.23 C ATOM 44 C GLN A 3 -11.655 -7.286 20.535 1.00 25.01 C ATOM 45 O GLN A 3 -11.510 -7.352 19.316 1.00 24.48 O ATOM 46 CB GLN A 3 -12.392 -5.601 22.347 1.00 27.84 C ATOM 47 CG GLN A 3 -12.038 -4.306 23.096 1.00 28.89 C ATOM 48 CD GLN A 3 -12.697 -3.068 22.489 1.00 29.93 C ATOM 49 OE1 GLN A 3 -12.105 -2.346 21.694 1.00 29.93 O ATOM 50 NE2 GLN A 3 -13.935 -2.788 22.870 1.00 30.99 N ATOM 0 H GLN A 3 -10.218 -4.401 20.516 1.00 26.50 H new ATOM 0 HA GLN A 3 -10.418 -6.180 21.836 1.00 26.23 H new ATOM 0 HB2 GLN A 3 -13.362 -5.483 21.864 1.00 27.84 H new ATOM 0 HB3 GLN A 3 -12.491 -6.416 23.065 1.00 27.84 H new ATOM 0 HG2 GLN A 3 -12.344 -4.400 24.138 1.00 28.89 H new ATOM 0 HG3 GLN A 3 -10.956 -4.174 23.092 1.00 28.89 H new ATOM 0 HE21 GLN A 3 -14.415 -3.398 23.532 1.00 30.99 H new ATOM 0 HE22 GLN A 3 -14.408 -1.963 22.501 1.00 30.99 H new ATOM 59 N ASP A 4 -12.046 -8.315 21.293 1.00 24.70 N ATOM 60 CA ASP A 4 -12.413 -9.659 20.841 1.00 23.76 C ATOM 61 C ASP A 4 -11.309 -10.351 20.037 1.00 21.68 C ATOM 62 O ASP A 4 -11.309 -10.358 18.808 1.00 21.03 O ATOM 63 CB ASP A 4 -13.782 -9.662 20.135 1.00 24.61 C ATOM 64 CG ASP A 4 -14.895 -9.994 21.124 1.00 26.12 C ATOM 65 OD1 ASP A 4 -14.803 -11.086 21.727 1.00 26.04 O ATOM 66 OD2 ASP A 4 -15.805 -9.151 21.281 1.00 27.48 O ATOM 0 H ASP A 4 -12.119 -8.224 22.306 1.00 24.70 H new ATOM 0 HA ASP A 4 -12.523 -10.273 21.735 1.00 23.76 H new ATOM 0 HB2 ASP A 4 -13.967 -8.687 19.685 1.00 24.61 H new ATOM 0 HB3 ASP A 4 -13.778 -10.392 19.325 1.00 24.61 H new ATOM 71 N GLY A 5 -10.385 -10.993 20.758 1.00 20.78 N ATOM 72 CA GLY A 5 -9.331 -11.821 20.191 1.00 18.92 C ATOM 73 C GLY A 5 -7.993 -11.448 20.816 1.00 18.09 C ATOM 74 O GLY A 5 -7.709 -10.266 21.002 1.00 18.61 O ATOM 0 H GLY A 5 -10.354 -10.946 21.776 1.00 20.78 H new ATOM 0 HA2 GLY A 5 -9.546 -12.874 20.371 1.00 18.92 H new ATOM 0 HA3 GLY A 5 -9.289 -11.684 19.110 1.00 18.92 H new ATOM 78 N GLU A 6 -7.161 -12.439 21.148 1.00 17.09 N ATOM 79 CA GLU A 6 -5.876 -12.201 21.783 1.00 16.48 C ATOM 80 C GLU A 6 -4.822 -13.236 21.377 1.00 14.68 C ATOM 81 O GLU A 6 -3.760 -13.308 21.987 1.00 15.04 O ATOM 82 CB GLU A 6 -6.056 -12.139 23.310 1.00 18.02 C ATOM 83 CG GLU A 6 -6.582 -13.450 23.909 1.00 18.40 C ATOM 84 CD GLU A 6 -6.770 -13.314 25.422 1.00 20.19 C ATOM 85 OE1 GLU A 6 -7.850 -12.821 25.819 1.00 21.65 O ATOM 86 OE2 GLU A 6 -5.835 -13.694 26.160 1.00 20.25 O ATOM 0 H GLU A 6 -7.365 -13.424 20.982 1.00 17.09 H new ATOM 0 HA GLU A 6 -5.499 -11.240 21.434 1.00 16.48 H new ATOM 0 HB2 GLU A 6 -5.100 -11.893 23.773 1.00 18.02 H new ATOM 0 HB3 GLU A 6 -6.746 -11.332 23.556 1.00 18.02 H new ATOM 0 HG2 GLU A 6 -7.530 -13.715 23.442 1.00 18.40 H new ATOM 0 HG3 GLU A 6 -5.884 -14.260 23.695 1.00 18.40 H new ATOM 93 N GLU A 7 -5.078 -14.028 20.332 1.00 13.04 N ATOM 94 CA GLU A 7 -4.220 -15.149 19.979 1.00 11.60 C ATOM 95 C GLU A 7 -3.957 -15.087 18.479 1.00 9.73 C ATOM 96 O GLU A 7 -4.755 -15.562 17.677 1.00 9.43 O ATOM 97 CB GLU A 7 -4.897 -16.452 20.415 1.00 12.12 C ATOM 98 CG GLU A 7 -3.941 -17.647 20.323 1.00 11.69 C ATOM 99 CD GLU A 7 -4.583 -18.928 20.864 1.00 12.90 C ATOM 100 OE1 GLU A 7 -5.624 -19.335 20.302 1.00 13.17 O ATOM 101 OE2 GLU A 7 -4.017 -19.492 21.826 1.00 13.83 O ATOM 0 H GLU A 7 -5.881 -13.907 19.715 1.00 13.04 H new ATOM 0 HA GLU A 7 -3.258 -15.105 20.490 1.00 11.60 H new ATOM 0 HB2 GLU A 7 -5.255 -16.351 21.439 1.00 12.12 H new ATOM 0 HB3 GLU A 7 -5.770 -16.636 19.789 1.00 12.12 H new ATOM 0 HG2 GLU A 7 -3.646 -17.798 19.285 1.00 11.69 H new ATOM 0 HG3 GLU A 7 -3.032 -17.430 20.884 1.00 11.69 H new ATOM 108 N GLY A 8 -2.850 -14.445 18.102 1.00 8.87 N ATOM 109 CA GLY A 8 -2.529 -14.188 16.707 1.00 7.36 C ATOM 110 C GLY A 8 -2.835 -12.732 16.387 1.00 6.66 C ATOM 111 O GLY A 8 -3.895 -12.412 15.857 1.00 6.79 O ATOM 0 H GLY A 8 -2.154 -14.091 18.759 1.00 8.87 H new ATOM 0 HA2 GLY A 8 -1.477 -14.402 16.517 1.00 7.36 H new ATOM 0 HA3 GLY A 8 -3.110 -14.846 16.060 1.00 7.36 H new ATOM 115 N THR A 9 -1.908 -11.843 16.738 1.00 6.46 N ATOM 116 CA THR A 9 -2.026 -10.419 16.450 1.00 6.12 C ATOM 117 C THR A 9 -2.278 -10.185 14.956 1.00 4.39 C ATOM 118 O THR A 9 -1.541 -10.687 14.109 1.00 4.12 O ATOM 119 CB THR A 9 -0.812 -9.663 17.004 1.00 7.29 C ATOM 120 OG1 THR A 9 -1.010 -8.267 16.945 1.00 7.58 O ATOM 121 CG2 THR A 9 0.480 -10.031 16.289 1.00 7.67 C ATOM 0 H THR A 9 -1.051 -12.093 17.232 1.00 6.46 H new ATOM 0 HA THR A 9 -2.898 -10.011 16.962 1.00 6.12 H new ATOM 0 HB THR A 9 -0.713 -9.967 18.046 1.00 7.29 H new ATOM 0 HG1 THR A 9 -0.222 -7.809 17.306 1.00 7.58 H new ATOM 0 HG21 THR A 9 1.308 -9.468 16.720 1.00 7.67 H new ATOM 0 HG22 THR A 9 0.668 -11.098 16.405 1.00 7.67 H new ATOM 0 HG23 THR A 9 0.391 -9.791 15.230 1.00 7.67 H new ATOM 129 N GLU A 10 -3.313 -9.412 14.627 1.00 4.16 N ATOM 130 CA GLU A 10 -3.582 -9.009 13.256 1.00 3.43 C ATOM 131 C GLU A 10 -2.784 -7.735 12.965 1.00 2.98 C ATOM 132 O GLU A 10 -3.049 -6.693 13.556 1.00 3.92 O ATOM 133 CB GLU A 10 -5.085 -8.755 13.057 1.00 5.00 C ATOM 134 CG GLU A 10 -5.913 -10.044 13.150 1.00 6.05 C ATOM 135 CD GLU A 10 -7.377 -9.794 12.764 1.00 7.71 C ATOM 136 OE1 GLU A 10 -8.022 -8.945 13.422 1.00 8.24 O ATOM 137 OE2 GLU A 10 -7.836 -10.445 11.799 1.00 8.88 O ATOM 0 H GLU A 10 -3.984 -9.051 15.305 1.00 4.16 H new ATOM 0 HA GLU A 10 -3.283 -9.802 12.570 1.00 3.43 H new ATOM 0 HB2 GLU A 10 -5.434 -8.047 13.809 1.00 5.00 H new ATOM 0 HB3 GLU A 10 -5.247 -8.292 12.084 1.00 5.00 H new ATOM 0 HG2 GLU A 10 -5.486 -10.802 12.493 1.00 6.05 H new ATOM 0 HG3 GLU A 10 -5.864 -10.438 14.165 1.00 6.05 H new ATOM 144 N GLU A 11 -1.811 -7.809 12.055 1.00 2.49 N ATOM 145 CA GLU A 11 -1.090 -6.666 11.501 1.00 2.39 C ATOM 146 C GLU A 11 -0.627 -7.082 10.095 1.00 2.16 C ATOM 147 O GLU A 11 -0.688 -8.275 9.797 1.00 3.12 O ATOM 148 CB GLU A 11 0.090 -6.300 12.420 1.00 3.09 C ATOM 149 CG GLU A 11 0.603 -4.874 12.175 1.00 3.31 C ATOM 150 CD GLU A 11 1.766 -4.524 13.109 1.00 4.71 C ATOM 151 OE1 GLU A 11 1.476 -4.137 14.263 1.00 5.39 O ATOM 152 OE2 GLU A 11 2.927 -4.637 12.657 1.00 5.68 O ATOM 0 H GLU A 11 -1.494 -8.699 11.671 1.00 2.49 H new ATOM 0 HA GLU A 11 -1.716 -5.776 11.434 1.00 2.39 H new ATOM 0 HB2 GLU A 11 -0.220 -6.398 13.461 1.00 3.09 H new ATOM 0 HB3 GLU A 11 0.903 -7.008 12.261 1.00 3.09 H new ATOM 0 HG2 GLU A 11 0.926 -4.776 11.139 1.00 3.31 H new ATOM 0 HG3 GLU A 11 -0.210 -4.164 12.324 1.00 3.31 H new ATOM 159 N ASP A 12 -0.185 -6.153 9.231 1.00 1.83 N ATOM 160 CA ASP A 12 0.257 -6.435 7.857 1.00 1.53 C ATOM 161 C ASP A 12 -0.698 -7.411 7.177 1.00 1.43 C ATOM 162 O ASP A 12 -0.305 -8.446 6.643 1.00 2.07 O ATOM 163 CB ASP A 12 1.723 -6.910 7.829 1.00 1.83 C ATOM 164 CG ASP A 12 2.735 -5.772 7.975 1.00 2.77 C ATOM 165 OD1 ASP A 12 2.306 -4.596 8.016 1.00 3.62 O ATOM 166 OD2 ASP A 12 3.951 -6.073 7.974 1.00 3.70 O ATOM 0 H ASP A 12 -0.124 -5.164 9.474 1.00 1.83 H new ATOM 0 HA ASP A 12 0.227 -5.510 7.282 1.00 1.53 H new ATOM 0 HB2 ASP A 12 1.879 -7.630 8.632 1.00 1.83 H new ATOM 0 HB3 ASP A 12 1.909 -7.434 6.891 1.00 1.83 H new ATOM 171 N THR A 13 -1.984 -7.051 7.157 1.00 1.24 N ATOM 172 CA THR A 13 -2.933 -7.775 6.334 1.00 1.27 C ATOM 173 C THR A 13 -2.637 -7.364 4.886 1.00 0.94 C ATOM 174 O THR A 13 -3.085 -6.344 4.358 1.00 1.38 O ATOM 175 CB THR A 13 -4.366 -7.572 6.841 1.00 1.74 C ATOM 176 OG1 THR A 13 -5.247 -8.540 6.312 1.00 2.07 O ATOM 177 CG2 THR A 13 -4.905 -6.200 6.482 1.00 1.75 C ATOM 0 H THR A 13 -2.378 -6.278 7.692 1.00 1.24 H new ATOM 0 HA THR A 13 -2.828 -8.859 6.389 1.00 1.27 H new ATOM 0 HB THR A 13 -4.314 -7.671 7.925 1.00 1.74 H new ATOM 0 HG1 THR A 13 -6.151 -8.383 6.657 1.00 2.07 H new ATOM 0 HG21 THR A 13 -5.922 -6.098 6.860 1.00 1.75 H new ATOM 0 HG22 THR A 13 -4.273 -5.432 6.929 1.00 1.75 H new ATOM 0 HG23 THR A 13 -4.907 -6.082 5.398 1.00 1.75 H new ATOM 185 N GLU A 14 -1.747 -8.132 4.279 1.00 0.62 N ATOM 186 CA GLU A 14 -1.337 -7.976 2.907 1.00 0.71 C ATOM 187 C GLU A 14 -2.308 -8.786 2.054 1.00 0.99 C ATOM 188 O GLU A 14 -2.369 -10.008 2.153 1.00 1.40 O ATOM 189 CB GLU A 14 0.134 -8.401 2.723 1.00 0.96 C ATOM 190 CG GLU A 14 0.515 -9.843 3.102 1.00 1.73 C ATOM 191 CD GLU A 14 2.005 -10.119 2.863 1.00 2.28 C ATOM 192 OE1 GLU A 14 2.813 -9.178 3.031 1.00 3.15 O ATOM 193 OE2 GLU A 14 2.322 -11.273 2.495 1.00 3.01 O ATOM 0 H GLU A 14 -1.278 -8.906 4.751 1.00 0.62 H new ATOM 0 HA GLU A 14 -1.374 -6.932 2.595 1.00 0.71 H new ATOM 0 HB2 GLU A 14 0.399 -8.248 1.677 1.00 0.96 H new ATOM 0 HB3 GLU A 14 0.754 -7.725 3.311 1.00 0.96 H new ATOM 0 HG2 GLU A 14 0.276 -10.018 4.151 1.00 1.73 H new ATOM 0 HG3 GLU A 14 -0.083 -10.543 2.518 1.00 1.73 H new ATOM 200 N GLU A 15 -3.094 -8.123 1.212 1.00 1.05 N ATOM 201 CA GLU A 15 -3.867 -8.816 0.207 1.00 1.21 C ATOM 202 C GLU A 15 -3.817 -7.976 -1.059 1.00 1.22 C ATOM 203 O GLU A 15 -4.485 -6.953 -1.115 1.00 2.28 O ATOM 204 CB GLU A 15 -5.282 -9.151 0.720 1.00 1.52 C ATOM 205 CG GLU A 15 -6.230 -7.970 1.012 1.00 2.89 C ATOM 206 CD GLU A 15 -7.108 -7.534 -0.172 1.00 3.62 C ATOM 207 OE1 GLU A 15 -7.425 -8.367 -1.052 1.00 3.64 O ATOM 208 OE2 GLU A 15 -7.515 -6.350 -0.222 1.00 4.85 O ATOM 0 H GLU A 15 -3.207 -7.109 1.211 1.00 1.05 H new ATOM 0 HA GLU A 15 -3.447 -9.794 -0.028 1.00 1.21 H new ATOM 0 HB2 GLU A 15 -5.763 -9.795 -0.016 1.00 1.52 H new ATOM 0 HB3 GLU A 15 -5.179 -9.734 1.635 1.00 1.52 H new ATOM 0 HG2 GLU A 15 -6.878 -8.241 1.845 1.00 2.89 H new ATOM 0 HG3 GLU A 15 -5.634 -7.117 1.337 1.00 2.89 H new ATOM 215 N LYS A 16 -2.999 -8.403 -2.035 1.00 0.77 N ATOM 216 CA LYS A 16 -2.815 -7.824 -3.375 1.00 0.69 C ATOM 217 C LYS A 16 -2.477 -6.320 -3.367 1.00 0.73 C ATOM 218 O LYS A 16 -2.503 -5.666 -2.329 1.00 1.42 O ATOM 219 CB LYS A 16 -3.943 -8.315 -4.294 1.00 0.77 C ATOM 220 CG LYS A 16 -4.961 -7.291 -4.765 1.00 1.93 C ATOM 221 CD LYS A 16 -5.831 -6.811 -3.607 1.00 2.94 C ATOM 222 CE LYS A 16 -7.224 -6.338 -4.012 1.00 4.16 C ATOM 223 NZ LYS A 16 -8.087 -6.276 -2.814 1.00 5.07 N ATOM 0 H LYS A 16 -2.406 -9.222 -1.898 1.00 0.77 H new ATOM 0 HA LYS A 16 -1.898 -8.200 -3.830 1.00 0.69 H new ATOM 0 HB2 LYS A 16 -3.486 -8.765 -5.176 1.00 0.77 H new ATOM 0 HB3 LYS A 16 -4.480 -9.108 -3.773 1.00 0.77 H new ATOM 0 HG2 LYS A 16 -4.446 -6.442 -5.214 1.00 1.93 H new ATOM 0 HG3 LYS A 16 -5.590 -7.729 -5.540 1.00 1.93 H new ATOM 0 HD2 LYS A 16 -5.933 -7.622 -2.886 1.00 2.94 H new ATOM 0 HD3 LYS A 16 -5.318 -5.995 -3.099 1.00 2.94 H new ATOM 0 HE2 LYS A 16 -7.165 -5.357 -4.483 1.00 4.16 H new ATOM 0 HE3 LYS A 16 -7.652 -7.019 -4.748 1.00 4.16 H new ATOM 0 HZ1 LYS A 16 -8.925 -5.695 -3.019 1.00 5.07 H new ATOM 0 HZ2 LYS A 16 -8.387 -7.237 -2.552 1.00 5.07 H new ATOM 0 HZ3 LYS A 16 -7.557 -5.852 -2.026 1.00 5.07 H new ATOM 237 N CYS A 17 -2.059 -5.750 -4.501 1.00 0.35 N ATOM 238 CA CYS A 17 -1.883 -4.329 -4.613 1.00 0.30 C ATOM 239 C CYS A 17 -3.178 -3.713 -5.120 1.00 0.30 C ATOM 240 O CYS A 17 -3.824 -4.205 -6.041 1.00 0.43 O ATOM 241 CB CYS A 17 -0.727 -3.997 -5.548 1.00 0.35 C ATOM 242 SG CYS A 17 -0.020 -2.369 -5.132 1.00 0.29 S ATOM 0 H CYS A 17 -1.839 -6.269 -5.351 1.00 0.35 H new ATOM 0 HA CYS A 17 -1.641 -3.916 -3.634 1.00 0.30 H new ATOM 0 HB2 CYS A 17 0.043 -4.765 -5.472 1.00 0.35 H new ATOM 0 HB3 CYS A 17 -1.075 -3.996 -6.581 1.00 0.35 H new ATOM 247 N THR A 18 -3.533 -2.579 -4.546 1.00 0.30 N ATOM 248 CA THR A 18 -4.773 -1.908 -4.884 1.00 0.34 C ATOM 249 C THR A 18 -4.465 -0.568 -5.529 1.00 0.31 C ATOM 250 O THR A 18 -5.281 -0.063 -6.289 1.00 0.44 O ATOM 251 CB THR A 18 -5.702 -1.891 -3.669 1.00 0.48 C ATOM 252 OG1 THR A 18 -7.001 -2.294 -4.045 1.00 1.52 O ATOM 253 CG2 THR A 18 -5.781 -0.531 -2.994 1.00 1.15 C ATOM 0 H THR A 18 -2.975 -2.101 -3.838 1.00 0.30 H new ATOM 0 HA THR A 18 -5.340 -2.449 -5.642 1.00 0.34 H new ATOM 0 HB THR A 18 -5.276 -2.589 -2.949 1.00 0.48 H new ATOM 0 HG1 THR A 18 -7.587 -2.281 -3.260 1.00 1.52 H new ATOM 0 HG21 THR A 18 -6.456 -0.587 -2.140 1.00 1.15 H new ATOM 0 HG22 THR A 18 -4.789 -0.236 -2.653 1.00 1.15 H new ATOM 0 HG23 THR A 18 -6.155 0.206 -3.704 1.00 1.15 H new ATOM 261 N ILE A 19 -3.268 -0.026 -5.300 1.00 0.24 N ATOM 262 CA ILE A 19 -2.799 1.128 -6.026 1.00 0.28 C ATOM 263 C ILE A 19 -2.418 0.695 -7.440 1.00 0.33 C ATOM 264 O ILE A 19 -2.732 1.397 -8.396 1.00 0.42 O ATOM 265 CB ILE A 19 -1.647 1.755 -5.229 1.00 0.28 C ATOM 266 CG1 ILE A 19 -2.191 2.345 -3.911 1.00 0.29 C ATOM 267 CG2 ILE A 19 -0.945 2.847 -6.032 1.00 0.36 C ATOM 268 CD1 ILE A 19 -1.967 1.426 -2.712 1.00 0.29 C ATOM 0 H ILE A 19 -2.609 -0.381 -4.608 1.00 0.24 H new ATOM 0 HA ILE A 19 -3.565 1.895 -6.136 1.00 0.28 H new ATOM 0 HB ILE A 19 -0.918 0.974 -5.012 1.00 0.28 H new ATOM 0 HG12 ILE A 19 -1.709 3.304 -3.722 1.00 0.29 H new ATOM 0 HG13 ILE A 19 -3.258 2.540 -4.019 1.00 0.29 H new ATOM 0 HG21 ILE A 19 -0.134 3.271 -5.439 1.00 0.36 H new ATOM 0 HG22 ILE A 19 -0.539 2.420 -6.949 1.00 0.36 H new ATOM 0 HG23 ILE A 19 -1.660 3.631 -6.282 1.00 0.36 H new ATOM 0 HD11 ILE A 19 -2.370 1.894 -1.814 1.00 0.29 H new ATOM 0 HD12 ILE A 19 -2.472 0.475 -2.883 1.00 0.29 H new ATOM 0 HD13 ILE A 19 -0.899 1.252 -2.582 1.00 0.29 H new ATOM 280 N CYS A 20 -1.797 -0.481 -7.591 1.00 0.31 N ATOM 281 CA CYS A 20 -1.476 -0.994 -8.920 1.00 0.39 C ATOM 282 C CYS A 20 -2.655 -1.782 -9.518 1.00 0.35 C ATOM 283 O CYS A 20 -2.461 -2.468 -10.517 1.00 0.42 O ATOM 284 CB CYS A 20 -0.247 -1.908 -8.853 1.00 0.53 C ATOM 285 SG CYS A 20 1.192 -1.063 -8.137 1.00 0.97 S ATOM 0 H CYS A 20 -1.512 -1.084 -6.820 1.00 0.31 H new ATOM 0 HA CYS A 20 -1.267 -0.137 -9.560 1.00 0.39 H new ATOM 0 HB2 CYS A 20 -0.483 -2.790 -8.257 1.00 0.53 H new ATOM 0 HB3 CYS A 20 -0.000 -2.258 -9.856 1.00 0.53 H new ATOM 290 N LEU A 21 -3.847 -1.723 -8.904 1.00 0.31 N ATOM 291 CA LEU A 21 -5.031 -2.520 -9.249 1.00 0.37 C ATOM 292 C LEU A 21 -4.690 -3.935 -9.747 1.00 0.42 C ATOM 293 O LEU A 21 -5.192 -4.387 -10.775 1.00 0.71 O ATOM 294 CB LEU A 21 -5.949 -1.783 -10.226 1.00 0.46 C ATOM 295 CG LEU A 21 -6.895 -0.810 -9.516 1.00 0.52 C ATOM 296 CD1 LEU A 21 -6.234 0.543 -9.280 1.00 0.74 C ATOM 297 CD2 LEU A 21 -8.157 -0.610 -10.358 1.00 0.69 C ATOM 0 H LEU A 21 -4.018 -1.092 -8.121 1.00 0.31 H new ATOM 0 HA LEU A 21 -5.580 -2.654 -8.317 1.00 0.37 H new ATOM 0 HB2 LEU A 21 -5.343 -1.235 -10.947 1.00 0.46 H new ATOM 0 HB3 LEU A 21 -6.535 -2.510 -10.789 1.00 0.46 H new ATOM 0 HG LEU A 21 -7.150 -1.242 -8.548 1.00 0.52 H new ATOM 0 HD11 LEU A 21 -6.935 1.207 -8.774 1.00 0.74 H new ATOM 0 HD12 LEU A 21 -5.347 0.411 -8.660 1.00 0.74 H new ATOM 0 HD13 LEU A 21 -5.946 0.979 -10.237 1.00 0.74 H new ATOM 0 HD21 LEU A 21 -8.828 0.083 -9.850 1.00 0.69 H new ATOM 0 HD22 LEU A 21 -7.884 -0.202 -11.331 1.00 0.69 H new ATOM 0 HD23 LEU A 21 -8.660 -1.568 -10.494 1.00 0.69 H new ATOM 309 N SER A 22 -3.843 -4.661 -9.022 1.00 0.42 N ATOM 310 CA SER A 22 -3.417 -5.986 -9.453 1.00 0.46 C ATOM 311 C SER A 22 -2.666 -6.704 -8.337 1.00 0.44 C ATOM 312 O SER A 22 -2.323 -6.112 -7.320 1.00 0.48 O ATOM 313 CB SER A 22 -2.525 -5.875 -10.696 1.00 0.53 C ATOM 314 OG SER A 22 -2.342 -7.157 -11.269 1.00 1.58 O ATOM 0 H SER A 22 -3.440 -4.354 -8.137 1.00 0.42 H new ATOM 0 HA SER A 22 -4.306 -6.567 -9.700 1.00 0.46 H new ATOM 0 HB2 SER A 22 -2.980 -5.203 -11.423 1.00 0.53 H new ATOM 0 HB3 SER A 22 -1.560 -5.446 -10.426 1.00 0.53 H new ATOM 0 HG SER A 22 -1.773 -7.082 -12.064 1.00 1.58 H new ATOM 320 N ILE A 23 -2.389 -7.992 -8.518 1.00 0.48 N ATOM 321 CA ILE A 23 -1.615 -8.770 -7.574 1.00 0.48 C ATOM 322 C ILE A 23 -0.206 -8.208 -7.430 1.00 0.45 C ATOM 323 O ILE A 23 0.349 -7.624 -8.360 1.00 0.46 O ATOM 324 CB ILE A 23 -1.630 -10.247 -7.976 1.00 0.55 C ATOM 325 CG1 ILE A 23 -1.507 -10.430 -9.494 1.00 0.60 C ATOM 326 CG2 ILE A 23 -2.861 -10.925 -7.353 1.00 0.73 C ATOM 327 CD1 ILE A 23 -2.835 -10.716 -10.188 1.00 2.40 C ATOM 0 H ILE A 23 -2.700 -8.523 -9.331 1.00 0.48 H new ATOM 0 HA ILE A 23 -2.072 -8.700 -6.587 1.00 0.48 H new ATOM 0 HB ILE A 23 -0.748 -10.749 -7.577 1.00 0.55 H new ATOM 0 HG12 ILE A 23 -1.069 -9.530 -9.925 1.00 0.60 H new ATOM 0 HG13 ILE A 23 -0.817 -11.249 -9.697 1.00 0.60 H new ATOM 0 HG21 ILE A 23 -2.878 -11.978 -7.635 1.00 0.73 H new ATOM 0 HG22 ILE A 23 -2.812 -10.841 -6.267 1.00 0.73 H new ATOM 0 HG23 ILE A 23 -3.767 -10.438 -7.714 1.00 0.73 H new ATOM 0 HD11 ILE A 23 -2.668 -10.833 -11.259 1.00 2.40 H new ATOM 0 HD12 ILE A 23 -3.266 -11.633 -9.785 1.00 2.40 H new ATOM 0 HD13 ILE A 23 -3.521 -9.887 -10.017 1.00 2.40 H new ATOM 339 N LEU A 24 0.361 -8.377 -6.233 1.00 0.44 N ATOM 340 CA LEU A 24 1.762 -8.127 -5.997 1.00 0.47 C ATOM 341 C LEU A 24 2.607 -9.124 -6.783 1.00 0.61 C ATOM 342 O LEU A 24 2.111 -10.107 -7.329 1.00 0.70 O ATOM 343 CB LEU A 24 2.046 -8.242 -4.493 1.00 0.51 C ATOM 344 CG LEU A 24 1.715 -6.966 -3.717 1.00 0.38 C ATOM 345 CD1 LEU A 24 1.909 -7.200 -2.217 1.00 0.45 C ATOM 346 CD2 LEU A 24 2.587 -5.780 -4.132 1.00 0.51 C ATOM 0 H LEU A 24 -0.149 -8.692 -5.408 1.00 0.44 H new ATOM 0 HA LEU A 24 2.020 -7.123 -6.332 1.00 0.47 H new ATOM 0 HB2 LEU A 24 1.467 -9.069 -4.083 1.00 0.51 H new ATOM 0 HB3 LEU A 24 3.098 -8.486 -4.346 1.00 0.51 H new ATOM 0 HG LEU A 24 0.677 -6.725 -3.946 1.00 0.38 H new ATOM 0 HD11 LEU A 24 1.671 -6.286 -1.672 1.00 0.45 H new ATOM 0 HD12 LEU A 24 1.250 -8.002 -1.886 1.00 0.45 H new ATOM 0 HD13 LEU A 24 2.945 -7.479 -2.023 1.00 0.45 H new ATOM 0 HD21 LEU A 24 2.308 -4.902 -3.549 1.00 0.51 H new ATOM 0 HD22 LEU A 24 3.635 -6.018 -3.951 1.00 0.51 H new ATOM 0 HD23 LEU A 24 2.440 -5.573 -5.192 1.00 0.51 H new ATOM 358 N GLU A 25 3.904 -8.842 -6.809 1.00 0.74 N ATOM 359 CA GLU A 25 4.907 -9.530 -7.603 1.00 0.89 C ATOM 360 C GLU A 25 6.216 -9.481 -6.820 1.00 0.67 C ATOM 361 O GLU A 25 6.427 -8.569 -6.017 1.00 0.79 O ATOM 362 CB GLU A 25 5.051 -8.836 -8.967 1.00 1.13 C ATOM 363 CG GLU A 25 5.579 -7.418 -8.741 1.00 1.09 C ATOM 364 CD GLU A 25 5.392 -6.464 -9.913 1.00 1.27 C ATOM 365 OE1 GLU A 25 5.728 -6.845 -11.054 1.00 1.86 O ATOM 366 OE2 GLU A 25 4.948 -5.332 -9.604 1.00 2.23 O ATOM 0 H GLU A 25 4.302 -8.089 -6.248 1.00 0.74 H new ATOM 0 HA GLU A 25 4.625 -10.566 -7.790 1.00 0.89 H new ATOM 0 HB2 GLU A 25 5.734 -9.396 -9.606 1.00 1.13 H new ATOM 0 HB3 GLU A 25 4.089 -8.804 -9.479 1.00 1.13 H new ATOM 0 HG2 GLU A 25 5.082 -6.997 -7.867 1.00 1.09 H new ATOM 0 HG3 GLU A 25 6.642 -7.476 -8.506 1.00 1.09 H new ATOM 373 N GLU A 26 7.116 -10.423 -7.075 1.00 0.97 N ATOM 374 CA GLU A 26 8.430 -10.494 -6.469 1.00 1.16 C ATOM 375 C GLU A 26 9.416 -9.593 -7.226 1.00 1.37 C ATOM 376 O GLU A 26 10.465 -10.042 -7.680 1.00 1.85 O ATOM 377 CB GLU A 26 8.900 -11.959 -6.382 1.00 1.71 C ATOM 378 CG GLU A 26 8.878 -12.738 -7.710 1.00 3.45 C ATOM 379 CD GLU A 26 7.576 -13.521 -7.909 1.00 4.08 C ATOM 380 OE1 GLU A 26 6.608 -12.908 -8.415 1.00 5.15 O ATOM 381 OE2 GLU A 26 7.558 -14.717 -7.542 1.00 4.19 O ATOM 0 H GLU A 26 6.940 -11.182 -7.733 1.00 0.97 H new ATOM 0 HA GLU A 26 8.382 -10.118 -5.447 1.00 1.16 H new ATOM 0 HB2 GLU A 26 9.916 -11.974 -5.988 1.00 1.71 H new ATOM 0 HB3 GLU A 26 8.271 -12.483 -5.662 1.00 1.71 H new ATOM 0 HG2 GLU A 26 9.010 -12.042 -8.538 1.00 3.45 H new ATOM 0 HG3 GLU A 26 9.721 -13.428 -7.737 1.00 3.45 H new ATOM 388 N GLY A 27 9.078 -8.309 -7.367 1.00 1.67 N ATOM 389 CA GLY A 27 9.860 -7.372 -8.157 1.00 2.28 C ATOM 390 C GLY A 27 10.968 -6.746 -7.321 1.00 1.82 C ATOM 391 O GLY A 27 12.146 -6.869 -7.644 1.00 2.11 O ATOM 0 H GLY A 27 8.252 -7.895 -6.934 1.00 1.67 H new ATOM 0 HA2 GLY A 27 10.293 -7.887 -9.015 1.00 2.28 H new ATOM 0 HA3 GLY A 27 9.210 -6.590 -8.549 1.00 2.28 H new ATOM 395 N GLU A 28 10.596 -6.046 -6.250 1.00 1.20 N ATOM 396 CA GLU A 28 11.521 -5.392 -5.352 1.00 0.84 C ATOM 397 C GLU A 28 10.989 -5.494 -3.924 1.00 0.58 C ATOM 398 O GLU A 28 10.100 -6.300 -3.648 1.00 0.71 O ATOM 399 CB GLU A 28 11.680 -3.939 -5.799 1.00 1.12 C ATOM 400 CG GLU A 28 13.115 -3.476 -5.534 1.00 1.37 C ATOM 401 CD GLU A 28 13.154 -2.081 -4.921 1.00 1.97 C ATOM 402 OE1 GLU A 28 12.914 -2.021 -3.693 1.00 3.25 O ATOM 403 OE2 GLU A 28 13.406 -1.111 -5.668 1.00 2.55 O ATOM 0 H GLU A 28 9.619 -5.921 -5.985 1.00 1.20 H new ATOM 0 HA GLU A 28 12.500 -5.870 -5.376 1.00 0.84 H new ATOM 0 HB2 GLU A 28 11.447 -3.846 -6.860 1.00 1.12 H new ATOM 0 HB3 GLU A 28 10.977 -3.303 -5.261 1.00 1.12 H new ATOM 0 HG2 GLU A 28 13.607 -4.181 -4.864 1.00 1.37 H new ATOM 0 HG3 GLU A 28 13.676 -3.479 -6.468 1.00 1.37 H new ATOM 410 N ASP A 29 11.542 -4.694 -3.018 1.00 0.41 N ATOM 411 CA ASP A 29 11.155 -4.738 -1.614 1.00 0.36 C ATOM 412 C ASP A 29 9.821 -4.017 -1.456 1.00 0.36 C ATOM 413 O ASP A 29 9.537 -3.043 -2.157 1.00 0.51 O ATOM 414 CB ASP A 29 12.242 -4.117 -0.727 1.00 0.66 C ATOM 415 CG ASP A 29 11.973 -4.352 0.762 1.00 1.33 C ATOM 416 OD1 ASP A 29 11.118 -5.208 1.077 1.00 2.56 O ATOM 417 OD2 ASP A 29 12.625 -3.681 1.594 1.00 1.88 O ATOM 0 H ASP A 29 12.263 -4.005 -3.233 1.00 0.41 H new ATOM 0 HA ASP A 29 11.042 -5.773 -1.293 1.00 0.36 H new ATOM 0 HB2 ASP A 29 13.211 -4.541 -0.991 1.00 0.66 H new ATOM 0 HB3 ASP A 29 12.299 -3.046 -0.920 1.00 0.66 H new ATOM 422 N VAL A 30 8.990 -4.478 -0.529 1.00 0.37 N ATOM 423 CA VAL A 30 7.667 -3.949 -0.301 1.00 0.35 C ATOM 424 C VAL A 30 7.597 -3.203 1.016 1.00 0.37 C ATOM 425 O VAL A 30 8.565 -3.174 1.778 1.00 0.47 O ATOM 426 CB VAL A 30 6.642 -5.071 -0.390 1.00 0.35 C ATOM 427 CG1 VAL A 30 6.552 -5.544 -1.831 1.00 0.44 C ATOM 428 CG2 VAL A 30 6.967 -6.236 0.531 1.00 0.40 C ATOM 0 H VAL A 30 9.231 -5.248 0.095 1.00 0.37 H new ATOM 0 HA VAL A 30 7.432 -3.221 -1.078 1.00 0.35 H new ATOM 0 HB VAL A 30 5.681 -4.676 -0.060 1.00 0.35 H new ATOM 0 HG11 VAL A 30 5.820 -6.348 -1.905 1.00 0.44 H new ATOM 0 HG12 VAL A 30 6.245 -4.714 -2.468 1.00 0.44 H new ATOM 0 HG13 VAL A 30 7.526 -5.909 -2.156 1.00 0.44 H new ATOM 0 HG21 VAL A 30 6.203 -7.007 0.426 1.00 0.40 H new ATOM 0 HG22 VAL A 30 7.939 -6.650 0.264 1.00 0.40 H new ATOM 0 HG23 VAL A 30 6.992 -5.888 1.564 1.00 0.40 H new ATOM 438 N ARG A 31 6.458 -2.557 1.274 1.00 0.33 N ATOM 439 CA ARG A 31 6.328 -1.740 2.469 1.00 0.38 C ATOM 440 C ARG A 31 4.865 -1.563 2.828 1.00 0.37 C ATOM 441 O ARG A 31 4.014 -1.482 1.948 1.00 0.40 O ATOM 442 CB ARG A 31 7.023 -0.383 2.262 1.00 0.41 C ATOM 443 CG ARG A 31 7.927 0.021 3.436 1.00 0.53 C ATOM 444 CD ARG A 31 9.102 -0.959 3.452 1.00 1.36 C ATOM 445 NE ARG A 31 10.204 -0.596 4.343 1.00 1.79 N ATOM 446 CZ ARG A 31 11.324 -1.329 4.356 1.00 2.54 C ATOM 447 NH1 ARG A 31 11.398 -2.415 3.583 1.00 3.21 N ATOM 448 NH2 ARG A 31 12.350 -0.979 5.131 1.00 2.95 N ATOM 0 H ARG A 31 5.629 -2.586 0.680 1.00 0.33 H new ATOM 0 HA ARG A 31 6.818 -2.245 3.302 1.00 0.38 H new ATOM 0 HB2 ARG A 31 7.619 -0.423 1.350 1.00 0.41 H new ATOM 0 HB3 ARG A 31 6.266 0.387 2.114 1.00 0.41 H new ATOM 0 HG2 ARG A 31 8.280 1.045 3.316 1.00 0.53 H new ATOM 0 HG3 ARG A 31 7.378 -0.019 4.377 1.00 0.53 H new ATOM 0 HD2 ARG A 31 8.731 -1.942 3.742 1.00 1.36 H new ATOM 0 HD3 ARG A 31 9.491 -1.051 2.438 1.00 1.36 H new ATOM 0 HE ARG A 31 10.119 0.216 4.955 1.00 1.79 H new ATOM 0 HH11 ARG A 31 10.608 -2.676 2.993 1.00 3.21 H new ATOM 0 HH12 ARG A 31 12.245 -2.984 3.582 1.00 3.21 H new ATOM 0 HH21 ARG A 31 12.285 -0.148 5.719 1.00 2.95 H new ATOM 0 HH22 ARG A 31 13.201 -1.542 5.136 1.00 2.95 H new ATOM 462 N ARG A 32 4.561 -1.488 4.121 1.00 0.43 N ATOM 463 CA ARG A 32 3.213 -1.216 4.558 1.00 0.48 C ATOM 464 C ARG A 32 3.085 0.245 4.898 1.00 0.46 C ATOM 465 O ARG A 32 4.069 0.879 5.266 1.00 0.49 O ATOM 466 CB ARG A 32 2.809 -2.102 5.743 1.00 0.70 C ATOM 467 CG ARG A 32 3.774 -2.099 6.938 1.00 0.73 C ATOM 468 CD ARG A 32 4.799 -3.232 6.821 1.00 1.35 C ATOM 469 NE ARG A 32 5.431 -3.518 8.114 1.00 1.59 N ATOM 470 CZ ARG A 32 6.417 -4.402 8.295 1.00 2.26 C ATOM 471 NH1 ARG A 32 6.920 -5.064 7.250 1.00 3.35 N ATOM 472 NH2 ARG A 32 6.920 -4.602 9.514 1.00 2.59 N ATOM 0 H ARG A 32 5.235 -1.613 4.876 1.00 0.43 H new ATOM 0 HA ARG A 32 2.528 -1.455 3.745 1.00 0.48 H new ATOM 0 HB2 ARG A 32 1.827 -1.784 6.092 1.00 0.70 H new ATOM 0 HB3 ARG A 32 2.704 -3.127 5.387 1.00 0.70 H new ATOM 0 HG2 ARG A 32 4.291 -1.141 6.990 1.00 0.73 H new ATOM 0 HG3 ARG A 32 3.211 -2.208 7.865 1.00 0.73 H new ATOM 0 HD2 ARG A 32 4.309 -4.131 6.447 1.00 1.35 H new ATOM 0 HD3 ARG A 32 5.563 -2.960 6.093 1.00 1.35 H new ATOM 0 HE ARG A 32 5.095 -3.007 8.930 1.00 1.59 H new ATOM 0 HH11 ARG A 32 6.552 -4.895 6.314 1.00 3.35 H new ATOM 0 HH12 ARG A 32 7.672 -5.739 7.388 1.00 3.35 H new ATOM 0 HH21 ARG A 32 6.552 -4.080 10.309 1.00 2.59 H new ATOM 0 HH22 ARG A 32 7.672 -5.277 9.651 1.00 2.59 H new ATOM 486 N LEU A 33 1.864 0.765 4.795 1.00 0.45 N ATOM 487 CA LEU A 33 1.599 2.042 5.436 1.00 0.41 C ATOM 488 C LEU A 33 1.667 1.793 6.942 1.00 0.40 C ATOM 489 O LEU A 33 1.229 0.731 7.385 1.00 0.48 O ATOM 490 CB LEU A 33 0.208 2.604 5.106 1.00 0.49 C ATOM 491 CG LEU A 33 -0.188 2.633 3.635 1.00 0.65 C ATOM 492 CD1 LEU A 33 -0.996 1.395 3.236 1.00 0.93 C ATOM 493 CD2 LEU A 33 -1.035 3.871 3.338 1.00 1.21 C ATOM 0 H LEU A 33 1.079 0.344 4.298 1.00 0.45 H new ATOM 0 HA LEU A 33 2.329 2.769 5.081 1.00 0.41 H new ATOM 0 HB2 LEU A 33 -0.533 2.015 5.646 1.00 0.49 H new ATOM 0 HB3 LEU A 33 0.151 3.621 5.494 1.00 0.49 H new ATOM 0 HG LEU A 33 0.738 2.653 3.060 1.00 0.65 H new ATOM 0 HD11 LEU A 33 -1.258 1.456 2.180 1.00 0.93 H new ATOM 0 HD12 LEU A 33 -0.400 0.499 3.411 1.00 0.93 H new ATOM 0 HD13 LEU A 33 -1.907 1.347 3.833 1.00 0.93 H new ATOM 0 HD21 LEU A 33 -1.311 3.879 2.283 1.00 1.21 H new ATOM 0 HD22 LEU A 33 -1.937 3.850 3.949 1.00 1.21 H new ATOM 0 HD23 LEU A 33 -0.461 4.768 3.570 1.00 1.21 H new ATOM 505 N PRO A 34 2.070 2.781 7.753 1.00 0.43 N ATOM 506 CA PRO A 34 2.038 2.662 9.207 1.00 0.55 C ATOM 507 C PRO A 34 0.634 2.416 9.795 1.00 0.55 C ATOM 508 O PRO A 34 0.515 2.216 10.998 1.00 0.69 O ATOM 509 CB PRO A 34 2.709 3.930 9.751 1.00 0.67 C ATOM 510 CG PRO A 34 2.812 4.896 8.569 1.00 0.58 C ATOM 511 CD PRO A 34 2.708 4.016 7.325 1.00 0.50 C ATOM 0 HA PRO A 34 2.577 1.767 9.518 1.00 0.55 H new ATOM 0 HB2 PRO A 34 2.122 4.365 10.560 1.00 0.67 H new ATOM 0 HB3 PRO A 34 3.695 3.705 10.158 1.00 0.67 H new ATOM 0 HG2 PRO A 34 2.013 5.637 8.595 1.00 0.58 H new ATOM 0 HG3 PRO A 34 3.755 5.442 8.588 1.00 0.58 H new ATOM 0 HD2 PRO A 34 2.122 4.508 6.548 1.00 0.50 H new ATOM 0 HD3 PRO A 34 3.694 3.819 6.904 1.00 0.50 H new ATOM 519 N CYS A 35 -0.418 2.392 8.964 1.00 0.49 N ATOM 520 CA CYS A 35 -1.759 1.940 9.312 1.00 0.56 C ATOM 521 C CYS A 35 -1.711 0.501 9.845 1.00 0.63 C ATOM 522 O CYS A 35 -2.108 0.252 10.980 1.00 0.90 O ATOM 523 CB CYS A 35 -2.629 2.017 8.044 1.00 0.65 C ATOM 524 SG CYS A 35 -4.218 1.151 8.234 1.00 1.23 S ATOM 0 H CYS A 35 -0.348 2.701 7.994 1.00 0.49 H new ATOM 0 HA CYS A 35 -2.181 2.571 10.094 1.00 0.56 H new ATOM 0 HB2 CYS A 35 -2.816 3.062 7.799 1.00 0.65 H new ATOM 0 HB3 CYS A 35 -2.082 1.586 7.206 1.00 0.65 H new ATOM 529 N MET A 36 -1.331 -0.446 8.977 1.00 0.56 N ATOM 530 CA MET A 36 -1.553 -1.884 9.106 1.00 0.65 C ATOM 531 C MET A 36 -1.571 -2.544 7.730 1.00 0.68 C ATOM 532 O MET A 36 -1.059 -3.644 7.567 1.00 0.98 O ATOM 533 CB MET A 36 -2.876 -2.230 9.815 1.00 0.72 C ATOM 534 CG MET A 36 -2.614 -2.806 11.205 1.00 1.50 C ATOM 535 SD MET A 36 -4.111 -3.306 12.092 1.00 2.42 S ATOM 536 CE MET A 36 -4.709 -1.675 12.600 1.00 4.02 C ATOM 0 H MET A 36 -0.832 -0.211 8.119 1.00 0.56 H new ATOM 0 HA MET A 36 -0.729 -2.259 9.713 1.00 0.65 H new ATOM 0 HB2 MET A 36 -3.494 -1.336 9.898 1.00 0.72 H new ATOM 0 HB3 MET A 36 -3.436 -2.950 9.218 1.00 0.72 H new ATOM 0 HG2 MET A 36 -1.955 -3.669 11.111 1.00 1.50 H new ATOM 0 HG3 MET A 36 -2.083 -2.063 11.800 1.00 1.50 H new ATOM 0 HE1 MET A 36 -4.933 -1.686 13.667 1.00 4.02 H new ATOM 0 HE2 MET A 36 -3.942 -0.927 12.397 1.00 4.02 H new ATOM 0 HE3 MET A 36 -5.613 -1.429 12.042 1.00 4.02 H new ATOM 546 N HIS A 37 -2.255 -1.945 6.754 1.00 0.53 N ATOM 547 CA HIS A 37 -2.362 -2.561 5.439 1.00 0.51 C ATOM 548 C HIS A 37 -1.043 -2.409 4.675 1.00 0.47 C ATOM 549 O HIS A 37 -0.360 -1.391 4.805 1.00 0.56 O ATOM 550 CB HIS A 37 -3.513 -1.929 4.656 1.00 0.54 C ATOM 551 CG HIS A 37 -4.868 -2.092 5.321 1.00 0.61 C ATOM 552 ND1 HIS A 37 -5.621 -1.162 6.063 1.00 0.55 N ATOM 553 CD2 HIS A 37 -5.561 -3.265 5.281 1.00 0.81 C ATOM 554 CE1 HIS A 37 -6.720 -1.816 6.464 1.00 0.67 C ATOM 555 NE2 HIS A 37 -6.715 -3.082 6.009 1.00 0.82 N ATOM 0 H HIS A 37 -2.734 -1.050 6.850 1.00 0.53 H new ATOM 0 HA HIS A 37 -2.568 -3.624 5.561 1.00 0.51 H new ATOM 0 HB2 HIS A 37 -3.309 -0.866 4.523 1.00 0.54 H new ATOM 0 HB3 HIS A 37 -3.551 -2.373 3.661 1.00 0.54 H new ATOM 0 HD2 HIS A 37 -5.261 -4.169 4.773 1.00 0.81 H new ATOM 0 HE1 HIS A 37 -7.503 -1.385 7.070 1.00 0.67 H new ATOM 0 HE2 HIS A 37 -7.438 -3.782 6.174 1.00 0.82 H new ATOM 563 N LEU A 38 -0.710 -3.406 3.853 1.00 0.39 N ATOM 564 CA LEU A 38 0.577 -3.496 3.154 1.00 0.36 C ATOM 565 C LEU A 38 0.449 -3.333 1.644 1.00 0.31 C ATOM 566 O LEU A 38 -0.575 -3.704 1.080 1.00 0.33 O ATOM 567 CB LEU A 38 1.254 -4.822 3.504 1.00 0.39 C ATOM 568 CG LEU A 38 2.642 -5.044 2.884 1.00 0.39 C ATOM 569 CD1 LEU A 38 3.521 -5.858 3.834 1.00 0.87 C ATOM 570 CD2 LEU A 38 2.594 -5.798 1.548 1.00 0.79 C ATOM 0 H LEU A 38 -1.335 -4.186 3.650 1.00 0.39 H new ATOM 0 HA LEU A 38 1.194 -2.664 3.494 1.00 0.36 H new ATOM 0 HB2 LEU A 38 1.346 -4.887 4.588 1.00 0.39 H new ATOM 0 HB3 LEU A 38 0.601 -5.636 3.190 1.00 0.39 H new ATOM 0 HG LEU A 38 3.050 -4.048 2.709 1.00 0.39 H new ATOM 0 HD11 LEU A 38 4.502 -6.008 3.383 1.00 0.87 H new ATOM 0 HD12 LEU A 38 3.633 -5.321 4.776 1.00 0.87 H new ATOM 0 HD13 LEU A 38 3.055 -6.826 4.021 1.00 0.87 H new ATOM 0 HD21 LEU A 38 3.606 -5.922 1.164 1.00 0.79 H new ATOM 0 HD22 LEU A 38 2.141 -6.778 1.699 1.00 0.79 H new ATOM 0 HD23 LEU A 38 2.001 -5.231 0.831 1.00 0.79 H new ATOM 582 N PHE A 39 1.509 -2.830 0.996 1.00 0.27 N ATOM 583 CA PHE A 39 1.575 -2.661 -0.460 1.00 0.26 C ATOM 584 C PHE A 39 2.996 -2.819 -0.998 1.00 0.24 C ATOM 585 O PHE A 39 3.907 -3.165 -0.255 1.00 0.28 O ATOM 586 CB PHE A 39 1.005 -1.285 -0.833 1.00 0.30 C ATOM 587 CG PHE A 39 -0.497 -1.279 -0.757 1.00 0.29 C ATOM 588 CD1 PHE A 39 -1.213 -2.186 -1.550 1.00 1.51 C ATOM 589 CD2 PHE A 39 -1.167 -0.482 0.179 1.00 1.36 C ATOM 590 CE1 PHE A 39 -2.603 -2.301 -1.419 1.00 1.50 C ATOM 591 CE2 PHE A 39 -2.559 -0.585 0.306 1.00 1.37 C ATOM 592 CZ PHE A 39 -3.280 -1.471 -0.518 1.00 0.29 C ATOM 0 H PHE A 39 2.356 -2.525 1.476 1.00 0.27 H new ATOM 0 HA PHE A 39 0.978 -3.448 -0.921 1.00 0.26 H new ATOM 0 HB2 PHE A 39 1.409 -0.527 -0.161 1.00 0.30 H new ATOM 0 HB3 PHE A 39 1.322 -1.019 -1.841 1.00 0.30 H new ATOM 0 HD1 PHE A 39 -0.689 -2.801 -2.267 1.00 1.51 H new ATOM 0 HD2 PHE A 39 -0.614 0.208 0.799 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -3.148 -3.024 -2.008 1.00 1.50 H new ATOM 0 HE2 PHE A 39 -3.080 0.016 1.037 1.00 1.37 H new ATOM 0 HZ PHE A 39 -4.357 -1.510 -0.454 1.00 0.29 H new ATOM 602 N HIS A 40 3.220 -2.566 -2.298 1.00 0.24 N ATOM 603 CA HIS A 40 4.583 -2.353 -2.758 1.00 0.26 C ATOM 604 C HIS A 40 5.131 -1.117 -2.052 1.00 0.24 C ATOM 605 O HIS A 40 4.396 -0.173 -1.784 1.00 0.23 O ATOM 606 CB HIS A 40 4.696 -2.071 -4.262 1.00 0.42 C ATOM 607 CG HIS A 40 4.406 -3.156 -5.264 1.00 0.34 C ATOM 608 ND1 HIS A 40 3.338 -3.123 -6.172 1.00 0.34 N ATOM 609 CD2 HIS A 40 5.336 -4.068 -5.688 1.00 0.43 C ATOM 610 CE1 HIS A 40 3.648 -4.018 -7.121 1.00 0.45 C ATOM 611 NE2 HIS A 40 4.827 -4.604 -6.853 1.00 0.51 N ATOM 0 H HIS A 40 2.499 -2.507 -3.017 1.00 0.24 H new ATOM 0 HA HIS A 40 5.129 -3.271 -2.540 1.00 0.26 H new ATOM 0 HB2 HIS A 40 4.028 -1.239 -4.485 1.00 0.42 H new ATOM 0 HB3 HIS A 40 5.712 -1.723 -4.449 1.00 0.42 H new ATOM 0 HD2 HIS A 40 6.272 -4.316 -5.210 1.00 0.43 H new ATOM 0 HE1 HIS A 40 3.034 -4.238 -7.982 1.00 0.45 H new ATOM 0 HE2 HIS A 40 5.273 -5.327 -7.418 1.00 0.51 H new ATOM 619 N GLN A 41 6.443 -1.076 -1.868 1.00 0.29 N ATOM 620 CA GLN A 41 7.161 0.081 -1.368 1.00 0.29 C ATOM 621 C GLN A 41 6.966 1.247 -2.318 1.00 0.29 C ATOM 622 O GLN A 41 6.444 2.290 -1.945 1.00 0.28 O ATOM 623 CB GLN A 41 8.641 -0.311 -1.284 1.00 0.32 C ATOM 624 CG GLN A 41 9.620 0.787 -0.842 1.00 0.43 C ATOM 625 CD GLN A 41 11.010 0.601 -1.459 1.00 1.10 C ATOM 626 OE1 GLN A 41 11.761 1.562 -1.570 1.00 1.88 O ATOM 627 NE2 GLN A 41 11.362 -0.608 -1.883 1.00 2.09 N ATOM 0 H GLN A 41 7.051 -1.870 -2.069 1.00 0.29 H new ATOM 0 HA GLN A 41 6.795 0.385 -0.387 1.00 0.29 H new ATOM 0 HB2 GLN A 41 8.733 -1.148 -0.592 1.00 0.32 H new ATOM 0 HB3 GLN A 41 8.954 -0.672 -2.264 1.00 0.32 H new ATOM 0 HG2 GLN A 41 9.224 1.762 -1.128 1.00 0.43 H new ATOM 0 HG3 GLN A 41 9.703 0.783 0.245 1.00 0.43 H new ATOM 0 HE21 GLN A 41 10.718 -1.392 -1.779 1.00 2.09 H new ATOM 0 HE22 GLN A 41 12.276 -0.752 -2.312 1.00 2.09 H new ATOM 636 N VAL A 42 7.357 1.050 -3.573 1.00 0.31 N ATOM 637 CA VAL A 42 7.279 2.104 -4.576 1.00 0.33 C ATOM 638 C VAL A 42 5.849 2.625 -4.711 1.00 0.30 C ATOM 639 O VAL A 42 5.628 3.780 -5.072 1.00 0.34 O ATOM 640 CB VAL A 42 7.869 1.586 -5.899 1.00 0.38 C ATOM 641 CG1 VAL A 42 6.836 1.026 -6.883 1.00 0.45 C ATOM 642 CG2 VAL A 42 8.697 2.681 -6.576 1.00 0.45 C ATOM 0 H VAL A 42 7.732 0.167 -3.920 1.00 0.31 H new ATOM 0 HA VAL A 42 7.875 2.963 -4.266 1.00 0.33 H new ATOM 0 HB VAL A 42 8.503 0.743 -5.624 1.00 0.38 H new ATOM 0 HG11 VAL A 42 7.342 0.685 -7.786 1.00 0.45 H new ATOM 0 HG12 VAL A 42 6.311 0.189 -6.422 1.00 0.45 H new ATOM 0 HG13 VAL A 42 6.119 1.806 -7.141 1.00 0.45 H new ATOM 0 HG21 VAL A 42 9.108 2.301 -7.511 1.00 0.45 H new ATOM 0 HG22 VAL A 42 8.062 3.542 -6.783 1.00 0.45 H new ATOM 0 HG23 VAL A 42 9.512 2.981 -5.917 1.00 0.45 H new ATOM 652 N CYS A 43 4.875 1.767 -4.402 1.00 0.27 N ATOM 653 CA CYS A 43 3.489 2.188 -4.468 1.00 0.26 C ATOM 654 C CYS A 43 3.135 3.015 -3.247 1.00 0.25 C ATOM 655 O CYS A 43 2.391 3.974 -3.380 1.00 0.27 O ATOM 656 CB CYS A 43 2.571 0.984 -4.444 1.00 0.25 C ATOM 657 SG CYS A 43 2.532 0.212 -6.092 1.00 0.26 S ATOM 0 H CYS A 43 5.022 0.800 -4.111 1.00 0.27 H new ATOM 0 HA CYS A 43 3.366 2.761 -5.387 1.00 0.26 H new ATOM 0 HB2 CYS A 43 2.918 0.264 -3.702 1.00 0.25 H new ATOM 0 HB3 CYS A 43 1.566 1.286 -4.149 1.00 0.25 H new ATOM 662 N VAL A 44 3.586 2.628 -2.051 1.00 0.24 N ATOM 663 CA VAL A 44 3.257 3.346 -0.835 1.00 0.24 C ATOM 664 C VAL A 44 3.710 4.795 -0.973 1.00 0.26 C ATOM 665 O VAL A 44 3.090 5.694 -0.415 1.00 0.25 O ATOM 666 CB VAL A 44 3.887 2.610 0.364 1.00 0.28 C ATOM 667 CG1 VAL A 44 5.158 3.258 0.917 1.00 0.33 C ATOM 668 CG2 VAL A 44 2.856 2.484 1.479 1.00 0.29 C ATOM 0 H VAL A 44 4.184 1.814 -1.907 1.00 0.24 H new ATOM 0 HA VAL A 44 2.181 3.372 -0.660 1.00 0.24 H new ATOM 0 HB VAL A 44 4.191 1.633 -0.012 1.00 0.28 H new ATOM 0 HG11 VAL A 44 5.529 2.672 1.757 1.00 0.33 H new ATOM 0 HG12 VAL A 44 5.917 3.294 0.136 1.00 0.33 H new ATOM 0 HG13 VAL A 44 4.934 4.271 1.252 1.00 0.33 H new ATOM 0 HG21 VAL A 44 3.300 1.964 2.328 1.00 0.29 H new ATOM 0 HG22 VAL A 44 2.534 3.478 1.791 1.00 0.29 H new ATOM 0 HG23 VAL A 44 1.996 1.920 1.117 1.00 0.29 H new ATOM 678 N ASP A 45 4.784 4.997 -1.738 1.00 0.29 N ATOM 679 CA ASP A 45 5.367 6.312 -1.976 1.00 0.36 C ATOM 680 C ASP A 45 4.453 7.138 -2.877 1.00 0.36 C ATOM 681 O ASP A 45 3.842 8.103 -2.425 1.00 0.36 O ATOM 682 CB ASP A 45 6.767 6.168 -2.581 1.00 0.43 C ATOM 683 CG ASP A 45 7.355 7.542 -2.894 1.00 0.67 C ATOM 684 OD1 ASP A 45 7.111 8.017 -4.025 1.00 1.35 O ATOM 685 OD2 ASP A 45 8.025 8.094 -1.995 1.00 2.02 O ATOM 0 H ASP A 45 5.277 4.241 -2.214 1.00 0.29 H new ATOM 0 HA ASP A 45 5.465 6.837 -1.026 1.00 0.36 H new ATOM 0 HB2 ASP A 45 7.417 5.637 -1.886 1.00 0.43 H new ATOM 0 HB3 ASP A 45 6.717 5.571 -3.491 1.00 0.43 H new ATOM 690 N GLN A 46 4.296 6.732 -4.140 1.00 0.39 N ATOM 691 CA GLN A 46 3.453 7.439 -5.104 1.00 0.42 C ATOM 692 C GLN A 46 2.016 7.585 -4.580 1.00 0.39 C ATOM 693 O GLN A 46 1.280 8.507 -4.937 1.00 0.43 O ATOM 694 CB GLN A 46 3.468 6.658 -6.425 1.00 0.54 C ATOM 695 CG GLN A 46 4.849 6.681 -7.100 1.00 1.16 C ATOM 696 CD GLN A 46 4.917 7.696 -8.238 1.00 1.82 C ATOM 697 OE1 GLN A 46 4.416 8.809 -8.132 1.00 2.89 O ATOM 698 NE2 GLN A 46 5.522 7.326 -9.361 1.00 2.52 N ATOM 0 H GLN A 46 4.751 5.903 -4.522 1.00 0.39 H new ATOM 0 HA GLN A 46 3.844 8.444 -5.260 1.00 0.42 H new ATOM 0 HB2 GLN A 46 3.175 5.625 -6.237 1.00 0.54 H new ATOM 0 HB3 GLN A 46 2.727 7.081 -7.103 1.00 0.54 H new ATOM 0 HG2 GLN A 46 5.611 6.919 -6.357 1.00 1.16 H new ATOM 0 HG3 GLN A 46 5.079 5.688 -7.487 1.00 1.16 H new ATOM 0 HE21 GLN A 46 5.935 6.396 -9.435 1.00 2.52 H new ATOM 0 HE22 GLN A 46 5.574 7.972 -10.149 1.00 2.52 H new ATOM 707 N TRP A 47 1.593 6.662 -3.722 1.00 0.35 N ATOM 708 CA TRP A 47 0.307 6.732 -3.075 1.00 0.32 C ATOM 709 C TRP A 47 0.261 7.875 -2.079 1.00 0.34 C ATOM 710 O TRP A 47 -0.602 8.731 -2.192 1.00 0.37 O ATOM 711 CB TRP A 47 -0.026 5.411 -2.400 1.00 0.29 C ATOM 712 CG TRP A 47 -1.421 5.385 -1.896 1.00 0.28 C ATOM 713 CD1 TRP A 47 -1.805 5.163 -0.621 1.00 0.33 C ATOM 714 CD2 TRP A 47 -2.639 5.629 -2.658 1.00 0.29 C ATOM 715 NE1 TRP A 47 -3.181 5.193 -0.556 1.00 0.34 N ATOM 716 CE2 TRP A 47 -3.742 5.406 -1.796 1.00 0.30 C ATOM 717 CE3 TRP A 47 -2.930 5.983 -3.992 1.00 0.31 C ATOM 718 CZ2 TRP A 47 -5.059 5.408 -2.260 1.00 0.32 C ATOM 719 CZ3 TRP A 47 -4.255 6.105 -4.441 1.00 0.35 C ATOM 720 CH2 TRP A 47 -5.325 5.778 -3.589 1.00 0.36 C ATOM 0 H TRP A 47 2.143 5.844 -3.461 1.00 0.35 H new ATOM 0 HA TRP A 47 -0.447 6.924 -3.839 1.00 0.32 H new ATOM 0 HB2 TRP A 47 0.120 4.595 -3.107 1.00 0.29 H new ATOM 0 HB3 TRP A 47 0.663 5.242 -1.572 1.00 0.29 H new ATOM 0 HD1 TRP A 47 -1.141 4.990 0.213 1.00 0.33 H new ATOM 0 HE1 TRP A 47 -3.717 5.073 0.303 1.00 0.34 H new ATOM 0 HE3 TRP A 47 -2.118 6.164 -4.681 1.00 0.31 H new ATOM 0 HZ2 TRP A 47 -5.868 5.127 -1.602 1.00 0.32 H new ATOM 0 HZ3 TRP A 47 -4.453 6.451 -5.445 1.00 0.35 H new ATOM 0 HH2 TRP A 47 -6.341 5.811 -3.953 1.00 0.36 H new ATOM 731 N LEU A 48 1.189 7.920 -1.130 1.00 0.33 N ATOM 732 CA LEU A 48 1.352 9.035 -0.216 1.00 0.33 C ATOM 733 C LEU A 48 1.341 10.378 -0.953 1.00 0.35 C ATOM 734 O LEU A 48 0.724 11.329 -0.478 1.00 0.41 O ATOM 735 CB LEU A 48 2.645 8.827 0.588 1.00 0.30 C ATOM 736 CG LEU A 48 2.376 8.278 1.993 1.00 0.38 C ATOM 737 CD1 LEU A 48 3.703 7.895 2.645 1.00 0.39 C ATOM 738 CD2 LEU A 48 1.672 9.307 2.886 1.00 0.51 C ATOM 0 H LEU A 48 1.859 7.167 -0.975 1.00 0.33 H new ATOM 0 HA LEU A 48 0.507 9.067 0.472 1.00 0.33 H new ATOM 0 HB2 LEU A 48 3.297 8.139 0.050 1.00 0.30 H new ATOM 0 HB3 LEU A 48 3.177 9.775 0.667 1.00 0.30 H new ATOM 0 HG LEU A 48 1.724 7.411 1.890 1.00 0.38 H new ATOM 0 HD11 LEU A 48 3.517 7.504 3.645 1.00 0.39 H new ATOM 0 HD12 LEU A 48 4.197 7.133 2.043 1.00 0.39 H new ATOM 0 HD13 LEU A 48 4.343 8.775 2.713 1.00 0.39 H new ATOM 0 HD21 LEU A 48 1.501 8.876 3.872 1.00 0.51 H new ATOM 0 HD22 LEU A 48 2.298 10.194 2.981 1.00 0.51 H new ATOM 0 HD23 LEU A 48 0.717 9.583 2.440 1.00 0.51 H new ATOM 750 N ILE A 49 2.004 10.463 -2.113 1.00 0.39 N ATOM 751 CA ILE A 49 2.007 11.644 -2.963 1.00 0.43 C ATOM 752 C ILE A 49 0.582 12.016 -3.396 1.00 0.44 C ATOM 753 O ILE A 49 0.252 13.199 -3.456 1.00 0.59 O ATOM 754 CB ILE A 49 2.937 11.405 -4.166 1.00 0.53 C ATOM 755 CG1 ILE A 49 4.389 11.152 -3.746 1.00 0.62 C ATOM 756 CG2 ILE A 49 2.853 12.538 -5.192 1.00 0.60 C ATOM 757 CD1 ILE A 49 5.090 12.407 -3.262 1.00 0.72 C ATOM 0 H ILE A 49 2.561 9.695 -2.487 1.00 0.39 H new ATOM 0 HA ILE A 49 2.390 12.495 -2.400 1.00 0.43 H new ATOM 0 HB ILE A 49 2.578 10.495 -4.646 1.00 0.53 H new ATOM 0 HG12 ILE A 49 4.408 10.403 -2.954 1.00 0.62 H new ATOM 0 HG13 ILE A 49 4.939 10.737 -4.590 1.00 0.62 H new ATOM 0 HG21 ILE A 49 3.526 12.327 -6.023 1.00 0.60 H new ATOM 0 HG22 ILE A 49 1.831 12.618 -5.563 1.00 0.60 H new ATOM 0 HG23 ILE A 49 3.142 13.478 -4.721 1.00 0.60 H new ATOM 0 HD11 ILE A 49 6.114 12.165 -2.979 1.00 0.72 H new ATOM 0 HD12 ILE A 49 5.100 13.149 -4.060 1.00 0.72 H new ATOM 0 HD13 ILE A 49 4.560 12.810 -2.399 1.00 0.72 H new ATOM 769 N THR A 50 -0.255 11.035 -3.744 1.00 0.43 N ATOM 770 CA THR A 50 -1.619 11.281 -4.192 1.00 0.54 C ATOM 771 C THR A 50 -2.587 11.307 -3.003 1.00 0.43 C ATOM 772 O THR A 50 -3.075 12.371 -2.624 1.00 0.53 O ATOM 773 CB THR A 50 -2.011 10.248 -5.261 1.00 0.71 C ATOM 774 OG1 THR A 50 -1.669 8.935 -4.873 1.00 1.89 O ATOM 775 CG2 THR A 50 -1.300 10.540 -6.583 1.00 1.82 C ATOM 0 H THR A 50 -0.001 10.047 -3.721 1.00 0.43 H new ATOM 0 HA THR A 50 -1.679 12.266 -4.655 1.00 0.54 H new ATOM 0 HB THR A 50 -3.092 10.324 -5.380 1.00 0.71 H new ATOM 0 HG1 THR A 50 -0.713 8.787 -5.027 1.00 1.89 H new ATOM 0 HG21 THR A 50 -1.592 9.797 -7.325 1.00 1.82 H new ATOM 0 HG22 THR A 50 -1.579 11.533 -6.935 1.00 1.82 H new ATOM 0 HG23 THR A 50 -0.221 10.498 -6.433 1.00 1.82 H new ATOM 783 N ASN A 51 -2.908 10.155 -2.412 1.00 0.34 N ATOM 784 CA ASN A 51 -3.794 10.074 -1.262 1.00 0.37 C ATOM 785 C ASN A 51 -3.011 9.870 0.030 1.00 0.40 C ATOM 786 O ASN A 51 -2.515 8.782 0.305 1.00 0.99 O ATOM 787 CB ASN A 51 -4.782 8.922 -1.448 1.00 0.77 C ATOM 788 CG ASN A 51 -6.028 9.403 -2.167 1.00 2.01 C ATOM 789 OD1 ASN A 51 -6.830 10.137 -1.589 1.00 2.94 O ATOM 790 ND2 ASN A 51 -6.198 9.021 -3.424 1.00 2.95 N ATOM 0 H ASN A 51 -2.556 9.250 -2.724 1.00 0.34 H new ATOM 0 HA ASN A 51 -4.335 11.017 -1.188 1.00 0.37 H new ATOM 0 HB2 ASN A 51 -4.312 8.121 -2.018 1.00 0.77 H new ATOM 0 HB3 ASN A 51 -5.052 8.506 -0.477 1.00 0.77 H new ATOM 0 HD21 ASN A 51 -7.015 9.336 -3.947 1.00 2.95 H new ATOM 0 HD22 ASN A 51 -5.511 8.412 -3.869 1.00 2.95 H new ATOM 797 N LYS A 52 -3.040 10.871 0.912 1.00 0.53 N ATOM 798 CA LYS A 52 -2.524 10.765 2.277 1.00 0.58 C ATOM 799 C LYS A 52 -3.410 9.915 3.207 1.00 0.48 C ATOM 800 O LYS A 52 -3.417 10.141 4.414 1.00 0.46 O ATOM 801 CB LYS A 52 -2.320 12.188 2.832 1.00 0.83 C ATOM 802 CG LYS A 52 -3.632 12.959 3.059 1.00 2.23 C ATOM 803 CD LYS A 52 -3.349 14.436 3.371 1.00 2.54 C ATOM 804 CE LYS A 52 -4.633 15.164 3.789 1.00 4.30 C ATOM 805 NZ LYS A 52 -5.056 14.773 5.149 1.00 5.50 N ATOM 0 H LYS A 52 -3.427 11.789 0.695 1.00 0.53 H new ATOM 0 HA LYS A 52 -1.573 10.234 2.240 1.00 0.58 H new ATOM 0 HB2 LYS A 52 -1.778 12.126 3.776 1.00 0.83 H new ATOM 0 HB3 LYS A 52 -1.693 12.751 2.141 1.00 0.83 H new ATOM 0 HG2 LYS A 52 -4.261 12.884 2.172 1.00 2.23 H new ATOM 0 HG3 LYS A 52 -4.186 12.508 3.882 1.00 2.23 H new ATOM 0 HD2 LYS A 52 -2.610 14.508 4.169 1.00 2.54 H new ATOM 0 HD3 LYS A 52 -2.920 14.921 2.494 1.00 2.54 H new ATOM 0 HE2 LYS A 52 -4.471 16.241 3.752 1.00 4.30 H new ATOM 0 HE3 LYS A 52 -5.429 14.937 3.080 1.00 4.30 H new ATOM 0 HZ1 LYS A 52 -5.656 15.520 5.554 1.00 5.50 H new ATOM 0 HZ2 LYS A 52 -5.593 13.884 5.103 1.00 5.50 H new ATOM 0 HZ3 LYS A 52 -4.217 14.640 5.749 1.00 5.50 H new ATOM 819 N LYS A 53 -4.178 8.950 2.689 1.00 0.47 N ATOM 820 CA LYS A 53 -5.086 8.124 3.472 1.00 0.42 C ATOM 821 C LYS A 53 -4.874 6.680 3.068 1.00 0.44 C ATOM 822 O LYS A 53 -4.360 6.387 1.987 1.00 0.54 O ATOM 823 CB LYS A 53 -6.553 8.514 3.244 1.00 0.47 C ATOM 824 CG LYS A 53 -6.882 9.940 3.717 1.00 0.51 C ATOM 825 CD LYS A 53 -7.839 10.669 2.774 1.00 1.16 C ATOM 826 CE LYS A 53 -7.171 10.835 1.403 1.00 2.90 C ATOM 827 NZ LYS A 53 -7.969 11.660 0.474 1.00 3.75 N ATOM 0 H LYS A 53 -4.181 8.722 1.695 1.00 0.47 H new ATOM 0 HA LYS A 53 -4.873 8.271 4.531 1.00 0.42 H new ATOM 0 HB2 LYS A 53 -6.784 8.428 2.182 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -7.196 7.807 3.768 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -7.324 9.895 4.713 1.00 0.51 H new ATOM 0 HG3 LYS A 53 -5.958 10.512 3.804 1.00 0.51 H new ATOM 0 HD2 LYS A 53 -8.767 10.107 2.673 1.00 1.16 H new ATOM 0 HD3 LYS A 53 -8.100 11.644 3.185 1.00 1.16 H new ATOM 0 HE2 LYS A 53 -6.190 11.291 1.535 1.00 2.90 H new ATOM 0 HE3 LYS A 53 -7.009 9.852 0.961 1.00 2.90 H new ATOM 0 HZ1 LYS A 53 -7.792 11.352 -0.503 1.00 3.75 H new ATOM 0 HZ2 LYS A 53 -8.980 11.551 0.694 1.00 3.75 H new ATOM 0 HZ3 LYS A 53 -7.698 12.659 0.576 1.00 3.75 H new ATOM 841 N CYS A 54 -5.301 5.777 3.939 1.00 0.37 N ATOM 842 CA CYS A 54 -5.214 4.365 3.642 1.00 0.30 C ATOM 843 C CYS A 54 -6.201 4.093 2.507 1.00 0.30 C ATOM 844 O CYS A 54 -7.335 4.552 2.600 1.00 0.37 O ATOM 845 CB CYS A 54 -5.633 3.625 4.902 1.00 0.37 C ATOM 846 SG CYS A 54 -5.510 1.840 4.620 1.00 0.61 S ATOM 0 H CYS A 54 -5.707 6.000 4.848 1.00 0.37 H new ATOM 0 HA CYS A 54 -4.215 4.047 3.345 1.00 0.30 H new ATOM 0 HB2 CYS A 54 -4.997 3.917 5.737 1.00 0.37 H new ATOM 0 HB3 CYS A 54 -6.655 3.892 5.171 1.00 0.37 H new ATOM 851 N PRO A 55 -5.835 3.364 1.444 1.00 0.30 N ATOM 852 CA PRO A 55 -6.794 3.052 0.403 1.00 0.37 C ATOM 853 C PRO A 55 -7.923 2.162 0.932 1.00 0.49 C ATOM 854 O PRO A 55 -9.071 2.345 0.544 1.00 0.80 O ATOM 855 CB PRO A 55 -6.016 2.349 -0.705 1.00 0.38 C ATOM 856 CG PRO A 55 -4.568 2.275 -0.252 1.00 0.69 C ATOM 857 CD PRO A 55 -4.557 2.718 1.210 1.00 0.32 C ATOM 0 HA PRO A 55 -7.271 3.959 0.033 1.00 0.37 H new ATOM 0 HB2 PRO A 55 -6.416 1.351 -0.883 1.00 0.38 H new ATOM 0 HB3 PRO A 55 -6.099 2.898 -1.643 1.00 0.38 H new ATOM 0 HG2 PRO A 55 -4.179 1.262 -0.355 1.00 0.69 H new ATOM 0 HG3 PRO A 55 -3.936 2.922 -0.860 1.00 0.69 H new ATOM 0 HD2 PRO A 55 -4.424 1.865 1.875 1.00 0.32 H new ATOM 0 HD3 PRO A 55 -3.732 3.404 1.403 1.00 0.32 H new ATOM 865 N ILE A 56 -7.599 1.170 1.774 1.00 0.41 N ATOM 866 CA ILE A 56 -8.579 0.213 2.263 1.00 0.49 C ATOM 867 C ILE A 56 -9.456 0.898 3.300 1.00 0.58 C ATOM 868 O ILE A 56 -10.654 1.076 3.106 1.00 0.67 O ATOM 869 CB ILE A 56 -7.917 -1.039 2.868 1.00 0.50 C ATOM 870 CG1 ILE A 56 -6.954 -1.739 1.903 1.00 0.48 C ATOM 871 CG2 ILE A 56 -9.007 -2.046 3.252 1.00 0.72 C ATOM 872 CD1 ILE A 56 -5.566 -1.099 1.900 1.00 1.31 C ATOM 0 H ILE A 56 -6.655 1.016 2.128 1.00 0.41 H new ATOM 0 HA ILE A 56 -9.181 -0.124 1.419 1.00 0.49 H new ATOM 0 HB ILE A 56 -7.344 -0.703 3.732 1.00 0.50 H new ATOM 0 HG12 ILE A 56 -6.866 -2.790 2.180 1.00 0.48 H new ATOM 0 HG13 ILE A 56 -7.368 -1.708 0.895 1.00 0.48 H new ATOM 0 HG21 ILE A 56 -8.546 -2.935 3.681 1.00 0.72 H new ATOM 0 HG22 ILE A 56 -9.677 -1.595 3.984 1.00 0.72 H new ATOM 0 HG23 ILE A 56 -9.574 -2.324 2.364 1.00 0.72 H new ATOM 0 HD11 ILE A 56 -4.921 -1.631 1.200 1.00 1.31 H new ATOM 0 HD12 ILE A 56 -5.647 -0.055 1.596 1.00 1.31 H new ATOM 0 HD13 ILE A 56 -5.138 -1.153 2.901 1.00 1.31 H new ATOM 884 N CYS A 57 -8.853 1.228 4.445 1.00 0.57 N ATOM 885 CA CYS A 57 -9.594 1.680 5.602 1.00 0.61 C ATOM 886 C CYS A 57 -9.996 3.154 5.436 1.00 0.49 C ATOM 887 O CYS A 57 -10.874 3.624 6.152 1.00 0.52 O ATOM 888 CB CYS A 57 -8.787 1.358 6.874 1.00 0.69 C ATOM 889 SG CYS A 57 -7.069 1.962 6.871 1.00 0.67 S ATOM 0 H CYS A 57 -7.844 1.186 4.585 1.00 0.57 H new ATOM 0 HA CYS A 57 -10.539 1.146 5.702 1.00 0.61 H new ATOM 0 HB2 CYS A 57 -9.305 1.786 7.732 1.00 0.69 H new ATOM 0 HB3 CYS A 57 -8.776 0.277 7.015 1.00 0.69 H new ATOM 894 N ARG A 58 -9.433 3.870 4.450 1.00 0.44 N ATOM 895 CA ARG A 58 -9.947 5.159 3.986 1.00 0.46 C ATOM 896 C ARG A 58 -9.826 6.230 5.069 1.00 0.45 C ATOM 897 O ARG A 58 -10.630 7.160 5.116 1.00 0.57 O ATOM 898 CB ARG A 58 -11.375 4.952 3.438 1.00 0.55 C ATOM 899 CG ARG A 58 -11.709 5.812 2.212 1.00 0.74 C ATOM 900 CD ARG A 58 -11.723 7.301 2.550 1.00 1.67 C ATOM 901 NE ARG A 58 -12.279 8.116 1.462 1.00 2.22 N ATOM 902 CZ ARG A 58 -12.615 9.404 1.604 1.00 3.11 C ATOM 903 NH1 ARG A 58 -12.386 10.024 2.764 1.00 4.06 N ATOM 904 NH2 ARG A 58 -13.174 10.067 0.590 1.00 3.53 N ATOM 0 H ARG A 58 -8.599 3.563 3.950 1.00 0.44 H new ATOM 0 HA ARG A 58 -9.342 5.543 3.165 1.00 0.46 H new ATOM 0 HB2 ARG A 58 -11.503 3.902 3.177 1.00 0.55 H new ATOM 0 HB3 ARG A 58 -12.091 5.173 4.229 1.00 0.55 H new ATOM 0 HG2 ARG A 58 -10.977 5.625 1.426 1.00 0.74 H new ATOM 0 HG3 ARG A 58 -12.682 5.520 1.817 1.00 0.74 H new ATOM 0 HD2 ARG A 58 -12.309 7.460 3.455 1.00 1.67 H new ATOM 0 HD3 ARG A 58 -10.707 7.632 2.766 1.00 1.67 H new ATOM 0 HE ARG A 58 -12.416 7.678 0.551 1.00 2.22 H new ATOM 0 HH11 ARG A 58 -11.957 9.516 3.538 1.00 4.06 H new ATOM 0 HH12 ARG A 58 -12.640 11.005 2.877 1.00 4.06 H new ATOM 0 HH21 ARG A 58 -13.346 9.592 -0.296 1.00 3.53 H new ATOM 0 HH22 ARG A 58 -13.429 11.048 0.701 1.00 3.53 H new ATOM 918 N VAL A 59 -8.767 6.169 5.881 1.00 0.41 N ATOM 919 CA VAL A 59 -8.495 7.181 6.888 1.00 0.42 C ATOM 920 C VAL A 59 -7.073 7.652 6.770 1.00 0.38 C ATOM 921 O VAL A 59 -6.195 6.906 6.354 1.00 0.34 O ATOM 922 CB VAL A 59 -8.715 6.657 8.304 1.00 0.45 C ATOM 923 CG1 VAL A 59 -9.969 5.806 8.356 1.00 0.49 C ATOM 924 CG2 VAL A 59 -7.548 5.851 8.877 1.00 0.43 C ATOM 0 H VAL A 59 -8.080 5.416 5.854 1.00 0.41 H new ATOM 0 HA VAL A 59 -9.190 8.002 6.711 1.00 0.42 H new ATOM 0 HB VAL A 59 -8.811 7.548 8.925 1.00 0.45 H new ATOM 0 HG11 VAL A 59 -10.117 5.437 9.371 1.00 0.49 H new ATOM 0 HG12 VAL A 59 -10.829 6.407 8.060 1.00 0.49 H new ATOM 0 HG13 VAL A 59 -9.864 4.962 7.675 1.00 0.49 H new ATOM 0 HG21 VAL A 59 -7.795 5.520 9.886 1.00 0.43 H new ATOM 0 HG22 VAL A 59 -7.361 4.982 8.246 1.00 0.43 H new ATOM 0 HG23 VAL A 59 -6.655 6.475 8.908 1.00 0.43 H new ATOM 934 N ASP A 60 -6.810 8.870 7.195 1.00 0.39 N ATOM 935 CA ASP A 60 -5.473 9.386 7.206 1.00 0.35 C ATOM 936 C ASP A 60 -4.714 8.595 8.250 1.00 0.33 C ATOM 937 O ASP A 60 -5.119 8.556 9.410 1.00 0.41 O ATOM 938 CB ASP A 60 -5.477 10.873 7.558 1.00 0.41 C ATOM 939 CG ASP A 60 -6.529 11.667 6.776 1.00 0.51 C ATOM 940 OD1 ASP A 60 -7.728 11.498 7.084 1.00 1.61 O ATOM 941 OD2 ASP A 60 -6.137 12.420 5.854 1.00 1.89 O ATOM 0 H ASP A 60 -7.517 9.520 7.539 1.00 0.39 H new ATOM 0 HA ASP A 60 -5.006 9.289 6.226 1.00 0.35 H new ATOM 0 HB2 ASP A 60 -5.662 10.988 8.626 1.00 0.41 H new ATOM 0 HB3 ASP A 60 -4.490 11.291 7.358 1.00 0.41 H new ATOM 946 N ILE A 61 -3.640 7.936 7.827 1.00 0.32 N ATOM 947 CA ILE A 61 -2.857 7.059 8.664 1.00 0.42 C ATOM 948 C ILE A 61 -2.484 7.744 9.977 1.00 0.48 C ATOM 949 O ILE A 61 -2.472 7.110 11.027 1.00 0.60 O ATOM 950 CB ILE A 61 -1.635 6.574 7.882 1.00 0.50 C ATOM 951 CG1 ILE A 61 -2.083 5.950 6.547 1.00 0.53 C ATOM 952 CG2 ILE A 61 -0.899 5.533 8.714 1.00 0.64 C ATOM 953 CD1 ILE A 61 -1.758 6.877 5.377 1.00 0.54 C ATOM 0 H ILE A 61 -3.290 8.004 6.872 1.00 0.32 H new ATOM 0 HA ILE A 61 -3.449 6.185 8.938 1.00 0.42 H new ATOM 0 HB ILE A 61 -0.974 7.415 7.674 1.00 0.50 H new ATOM 0 HG12 ILE A 61 -1.587 4.990 6.405 1.00 0.53 H new ATOM 0 HG13 ILE A 61 -3.155 5.754 6.574 1.00 0.53 H new ATOM 0 HG21 ILE A 61 -0.026 5.180 8.166 1.00 0.64 H new ATOM 0 HG22 ILE A 61 -0.580 5.979 9.656 1.00 0.64 H new ATOM 0 HG23 ILE A 61 -1.564 4.693 8.917 1.00 0.64 H new ATOM 0 HD11 ILE A 61 -2.084 6.415 4.445 1.00 0.54 H new ATOM 0 HD12 ILE A 61 -2.275 7.827 5.511 1.00 0.54 H new ATOM 0 HD13 ILE A 61 -0.683 7.052 5.339 1.00 0.54 H new ATOM 965 N GLU A 62 -2.186 9.041 9.898 1.00 0.50 N ATOM 966 CA GLU A 62 -2.027 9.912 11.038 1.00 0.60 C ATOM 967 C GLU A 62 -1.983 11.352 10.520 1.00 1.66 C ATOM 968 O GLU A 62 -2.338 11.605 9.367 1.00 3.28 O ATOM 969 CB GLU A 62 -0.779 9.531 11.858 1.00 2.01 C ATOM 970 CG GLU A 62 -1.218 9.443 13.321 1.00 2.70 C ATOM 971 CD GLU A 62 -0.070 9.157 14.291 1.00 3.69 C ATOM 972 OE1 GLU A 62 0.958 8.602 13.842 1.00 4.61 O ATOM 973 OE2 GLU A 62 -0.241 9.509 15.479 1.00 4.26 O ATOM 0 H GLU A 62 -2.047 9.518 9.007 1.00 0.50 H new ATOM 0 HA GLU A 62 -2.867 9.808 11.725 1.00 0.60 H new ATOM 0 HB2 GLU A 62 -0.371 8.579 11.520 1.00 2.01 H new ATOM 0 HB3 GLU A 62 0.006 10.277 11.735 1.00 2.01 H new ATOM 0 HG2 GLU A 62 -1.697 10.380 13.605 1.00 2.70 H new ATOM 0 HG3 GLU A 62 -1.969 8.659 13.419 1.00 2.70 H new ATOM 980 N ALA A 63 -1.560 12.302 11.355 1.00 2.06 N ATOM 981 CA ALA A 63 -1.277 13.648 10.888 1.00 3.35 C ATOM 982 C ALA A 63 0.018 13.659 10.066 1.00 3.10 C ATOM 983 O ALA A 63 0.713 12.653 9.936 1.00 2.70 O ATOM 984 CB ALA A 63 -1.175 14.591 12.092 1.00 4.64 C ATOM 0 H ALA A 63 -1.408 12.159 12.353 1.00 2.06 H new ATOM 0 HA ALA A 63 -2.086 13.992 10.243 1.00 3.35 H new ATOM 0 HB1 ALA A 63 -0.963 15.602 11.745 1.00 4.64 H new ATOM 0 HB2 ALA A 63 -2.118 14.586 12.639 1.00 4.64 H new ATOM 0 HB3 ALA A 63 -0.372 14.257 12.749 1.00 4.64 H new ATOM 990 N GLN A 64 0.362 14.823 9.517 1.00 4.22 N ATOM 991 CA GLN A 64 1.646 15.016 8.861 1.00 4.44 C ATOM 992 C GLN A 64 2.759 14.885 9.902 1.00 3.79 C ATOM 993 O GLN A 64 2.575 15.331 11.032 1.00 4.56 O ATOM 994 CB GLN A 64 1.675 16.409 8.219 1.00 6.32 C ATOM 995 CG GLN A 64 0.709 16.489 7.029 1.00 7.55 C ATOM 996 CD GLN A 64 0.222 17.914 6.787 1.00 9.20 C ATOM 997 OE1 GLN A 64 -0.972 18.183 6.845 1.00 10.17 O ATOM 998 NE2 GLN A 64 1.122 18.851 6.519 1.00 9.95 N ATOM 0 H GLN A 64 -0.237 15.648 9.516 1.00 4.22 H new ATOM 0 HA GLN A 64 1.794 14.265 8.085 1.00 4.44 H new ATOM 0 HB2 GLN A 64 1.406 17.161 8.961 1.00 6.32 H new ATOM 0 HB3 GLN A 64 2.687 16.638 7.886 1.00 6.32 H new ATOM 0 HG2 GLN A 64 1.206 16.118 6.133 1.00 7.55 H new ATOM 0 HG3 GLN A 64 -0.147 15.839 7.212 1.00 7.55 H new ATOM 0 HE21 GLN A 64 2.112 18.609 6.475 1.00 9.95 H new ATOM 0 HE22 GLN A 64 0.824 19.813 6.357 1.00 9.95 H new ATOM 1007 N LEU A 65 3.897 14.313 9.481 1.00 3.54 N ATOM 1008 CA LEU A 65 5.150 14.064 10.205 1.00 4.18 C ATOM 1009 C LEU A 65 5.199 12.581 10.594 1.00 5.14 C ATOM 1010 O LEU A 65 5.047 12.246 11.766 1.00 6.11 O ATOM 1011 CB LEU A 65 5.371 14.972 11.434 1.00 5.00 C ATOM 1012 CG LEU A 65 5.439 16.473 11.096 1.00 5.49 C ATOM 1013 CD1 LEU A 65 5.249 17.301 12.368 1.00 6.69 C ATOM 1014 CD2 LEU A 65 6.784 16.839 10.461 1.00 6.44 C ATOM 0 H LEU A 65 3.968 13.978 8.520 1.00 3.54 H new ATOM 0 HA LEU A 65 5.970 14.317 9.532 1.00 4.18 H new ATOM 0 HB2 LEU A 65 4.563 14.806 12.146 1.00 5.00 H new ATOM 0 HB3 LEU A 65 6.297 14.679 11.929 1.00 5.00 H new ATOM 0 HG LEU A 65 4.644 16.691 10.383 1.00 5.49 H new ATOM 0 HD11 LEU A 65 5.298 18.362 12.122 1.00 6.69 H new ATOM 0 HD12 LEU A 65 4.278 17.075 12.808 1.00 6.69 H new ATOM 0 HD13 LEU A 65 6.036 17.057 13.082 1.00 6.69 H new ATOM 0 HD21 LEU A 65 6.801 17.905 10.234 1.00 6.44 H new ATOM 0 HD22 LEU A 65 7.590 16.603 11.155 1.00 6.44 H new ATOM 0 HD23 LEU A 65 6.919 16.270 9.541 1.00 6.44 H new ATOM 1026 N PRO A 66 5.392 11.676 9.622 1.00 5.70 N ATOM 1027 CA PRO A 66 5.445 10.245 9.880 1.00 7.33 C ATOM 1028 C PRO A 66 6.780 9.861 10.521 1.00 8.35 C ATOM 1029 O PRO A 66 7.690 10.679 10.643 1.00 8.27 O ATOM 1030 CB PRO A 66 5.272 9.594 8.505 1.00 7.91 C ATOM 1031 CG PRO A 66 5.955 10.600 7.579 1.00 6.99 C ATOM 1032 CD PRO A 66 5.578 11.942 8.205 1.00 5.58 C ATOM 0 HA PRO A 66 4.675 9.918 10.579 1.00 7.33 H new ATOM 0 HB2 PRO A 66 5.744 8.613 8.458 1.00 7.91 H new ATOM 0 HB3 PRO A 66 4.221 9.455 8.250 1.00 7.91 H new ATOM 0 HG2 PRO A 66 7.035 10.456 7.550 1.00 6.99 H new ATOM 0 HG3 PRO A 66 5.595 10.516 6.554 1.00 6.99 H new ATOM 0 HD2 PRO A 66 6.362 12.683 8.045 1.00 5.58 H new ATOM 0 HD3 PRO A 66 4.667 12.340 7.758 1.00 5.58 H new ATOM 1040 N SER A 67 6.901 8.593 10.914 1.00 9.75 N ATOM 1041 CA SER A 67 8.051 8.084 11.638 1.00 11.21 C ATOM 1042 C SER A 67 8.330 6.667 11.149 1.00 12.42 C ATOM 1043 O SER A 67 7.946 5.701 11.806 1.00 13.63 O ATOM 1044 CB SER A 67 7.725 8.129 13.136 1.00 12.26 C ATOM 1045 OG SER A 67 8.716 7.476 13.902 1.00 13.94 O ATOM 0 H SER A 67 6.189 7.886 10.733 1.00 9.75 H new ATOM 0 HA SER A 67 8.946 8.682 11.467 1.00 11.21 H new ATOM 0 HB2 SER A 67 7.639 9.166 13.459 1.00 12.26 H new ATOM 0 HB3 SER A 67 6.758 7.658 13.313 1.00 12.26 H new ATOM 0 HG SER A 67 8.480 7.524 14.852 1.00 13.94 H new ATOM 1051 N GLU A 68 8.992 6.536 10.001 1.00 12.28 N ATOM 1052 CA GLU A 68 9.297 5.245 9.406 1.00 13.44 C ATOM 1053 C GLU A 68 10.576 5.356 8.581 1.00 13.34 C ATOM 1054 O GLU A 68 11.019 6.465 8.285 1.00 12.58 O ATOM 1055 CB GLU A 68 8.114 4.780 8.544 1.00 13.62 C ATOM 1056 CG GLU A 68 7.850 5.700 7.343 1.00 12.82 C ATOM 1057 CD GLU A 68 6.558 5.297 6.631 1.00 13.59 C ATOM 1058 OE1 GLU A 68 6.589 4.249 5.948 1.00 14.17 O ATOM 1059 OE2 GLU A 68 5.557 6.031 6.794 1.00 13.94 O ATOM 0 H GLU A 68 9.332 7.330 9.458 1.00 12.28 H new ATOM 0 HA GLU A 68 9.457 4.502 10.188 1.00 13.44 H new ATOM 0 HB2 GLU A 68 8.308 3.769 8.185 1.00 13.62 H new ATOM 0 HB3 GLU A 68 7.218 4.732 9.162 1.00 13.62 H new ATOM 0 HG2 GLU A 68 7.779 6.735 7.679 1.00 12.82 H new ATOM 0 HG3 GLU A 68 8.687 5.648 6.647 1.00 12.82 H new ATOM 1066 N SER A 69 11.127 4.207 8.177 1.00 14.32 N ATOM 1067 CA SER A 69 12.486 4.075 7.661 1.00 14.70 C ATOM 1068 C SER A 69 13.495 4.428 8.749 1.00 15.24 C ATOM 1069 O SER A 69 13.192 4.086 9.913 1.00 16.20 O ATOM 1070 CB SER A 69 12.687 4.893 6.385 1.00 13.88 C ATOM 1071 OG SER A 69 11.625 4.617 5.495 1.00 13.94 O ATOM 1072 OXT SER A 69 14.557 4.978 8.388 1.00 14.99 O ATOM 0 H SER A 69 10.623 3.321 8.202 1.00 14.32 H new ATOM 0 HA SER A 69 12.653 3.035 7.379 1.00 14.70 H new ATOM 0 HB2 SER A 69 12.716 5.957 6.620 1.00 13.88 H new ATOM 0 HB3 SER A 69 13.642 4.642 5.923 1.00 13.88 H new ATOM 0 HG SER A 69 11.743 5.138 4.673 1.00 13.94 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 70 1.720 -1.723 -6.225 1.00 0.30 ZN HETATM 1080 ZN ZN A 71 -5.254 0.854 6.438 1.00 0.52 ZN